24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C180H124N10 — CID 160925329

IUPAC24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESCC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1cc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1.CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1cc(-c2ccccc2)c2nccc(-c3ccccc3)c2n1.CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1cc2ccccc2c(-c2ccc(-c3ccccc3)cc2)n1.CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1nc(-c2ccc3ccccc3c2)c2ccccc2n1
InChIInChI=1S/2C46H32N2.C45H31N3.C43H29N3/c1-46(2)38-21-11-8-19-35(38)42-33-17-6-7-18-34(33)43-36-20-10-13-23-40(36)48(45(43)44(42)46)41-28-37(32-16-9-12-22-39(32)47-41)31-26-24-30(25-27-31)29-14-4-3-5-15-29;1-46(2)38-22-12-10-20-36(38)41-34-18-8-9-19-35(34)42-37-21-11-13-23-39(37)48(45(42)43(41)46)40-28-32-16-6-7-17-33(32)44(47-40)31-26-24-30(25-27-31)29-14-4-3-5-15-29;1-45(2)36-23-13-11-21-33(36)39-31-19-9-10-20-32(31)40-34-22-12-14-24-37(34)48(44(40)41(39)45)38-27-35(29-17-7-4-8-18-29)42-43(47-38)30(25-26-46-42)28-15-5-3-6-16-28;1-43(2)34-20-10-7-17-31(34)37-29-15-5-6-16-30(29)38-33-19-9-12-22-36(33)46(41(38)39(37)43)42-44-35-21-11-8-18-32(35)40(45-42)28-24-23-26-13-3-4-14-27(26)25-28/h2*3-28H,1-2H3;3-27H,1-2H3;3-25H,1-2H3
InChIKeySSOHMMPRHUVXHO-UHFFFAOYSA-N
MW2427.04 g/mol
LogP46.78
Rot. Bonds11

About 24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 160925329) has the molecular formula C180H124N10 and a molecular weight of 2427.04 g/mol. Its IUPAC name is 24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
PubChem CID160925329
Molecular FormulaC180H124N10
Molecular Weight2427.04 g/mol
Exact Mass2425.00
IUPAC Name24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESCC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1cc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1.CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1cc(-c2ccccc2)c2nccc(-c3ccccc3)c2n1.CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1cc2ccccc2c(-c2ccc(-c3ccccc3)cc2)n1.CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1nc(-c2ccc3ccccc3c2)c2ccccc2n1
InChIInChI=1S/2C46H32N2.C45H31N3.C43H29N3/c1-46(2)38-21-11-8-19-35(38)42-33-17-6-7-18-34(33)43-36-20-10-13-23-40(36)48(45(43)44(42)46)41-28-37(32-16-9-12-22-39(32)47-41)31-26-24-30(25-27-31)29-14-4-3-5-15-29;1-46(2)38-22-12-10-20-36(38)41-34-18-8-9-19-35(34)42-37-21-11-13-23-39(37)48(45(42)43(41)46)40-28-32-16-6-7-17-33(32)44(47-40)31-26-24-30(25-27-31)29-14-4-3-5-15-29;1-45(2)36-23-13-11-21-33(36)39-31-19-9-10-20-32(31)40-34-22-12-14-24-37(34)48(44(40)41(39)45)38-27-35(29-17-7-4-8-18-29)42-43(47-38)30(25-26-46-42)28-15-5-3-6-16-28;1-43(2)34-20-10-7-17-31(34)37-29-15-5-6-16-30(29)38-33-19-9-12-22-36(33)46(41(38)39(37)43)42-44-35-21-11-8-18-32(35)40(45-42)28-24-23-26-13-3-4-14-27(26)25-28/h2*3-28H,1-2H3;3-27H,1-2H3;3-25H,1-2H3
InChIKeySSOHMMPRHUVXHO-UHFFFAOYSA-N
XLogP46.78
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms190
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002427.04
LogP ≤ 546.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

24,24-dimethyl-3-(4-phenylquinolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 129292593
3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 154593202
24,24-dimethyl-3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 146741205
24,24-dimethyl-3-[4-(4-phenylphenyl)quinazolin-2-yl]-3,5-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 139310417
3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]spiro[3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene-24,9'-fluorene]
CID 138735360
8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;8,8-dimethyl-22-[4-(4-phenylphenyl)quinolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene;22-(4-quinolin-8-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 162168761
9,9-dimethyl-24-(4-phenylbenzo[h]quinazolin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9-dimethyl-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;24-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-9,9-dimethyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
CID 167588604
24,24-dimethyl-3-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 154593238
18,18-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 122464922
8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510050
18,18-dimethyl-9-(4-phenylquinazolin-2-yl)-21-oxa-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635233
3-[4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]quinazolin-2-yl]-24,24-dimethyl-3,6-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 155300133

Frequently Asked Questions

What is the IUPAC name of 24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The IUPAC name of 24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 160925329) is 24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The canonical SMILES for 24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1cc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1.CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1cc(-c2ccccc2)c2nccc(-c3ccccc3)c2n1.CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1cc2ccccc2c(-c2ccc(-c3ccccc3)cc2)n1.CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1nc(-c2ccc3ccccc3c2)c2ccccc2n1.
What is the InChIKey of 24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The InChIKey is SSOHMMPRHUVXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H32N2.C45H31N3.C43H29N3/c1-46(2)38-21-11-8-19-35(38)42-33-17-6-7-18-34(33)43-36-20-10-13-23-40(36)48(45(43)44(42)46)41-28-37(32-16-9-12-22-39(32)47-41)31-26-24-30(25-27-31)29-14-4-3-5-15-29;1-46(2)38-22-12-10-20-36(38)41-34-18-8-9-19-35(34)42-37-21-11-13-23-39(37)48(45(42)43(41)46)40-28-32-16-6-7-17-33(32)44(47-40)31-26-24-30(25-27-31)29-14-4-3-5-15-29;1-45(2)36-23-13-11-21-33(36)39-31-19-9-10-20-32(31)40-34-22-12-14-24-37(34)48(44(40)41(39)45)38-27-35(29-17-7-4-8-18-29)42-43(47-38)30(25-26-46-42)28-15-5-3-6-16-28;1-43(2)34-20-10-7-17-31(34)37-29-15-5-6-16-30(29)38-33-19-9-12-22-36(33)46(41(38)39(37)43)42-44-35-21-11-8-18-32(35)40(45-42)28-24-23-26-13-3-4-14-27(26)25-28/h2*3-28H,1-2H3;3-27H,1-2H3;3-25H,1-2H3.
What are the key properties of 24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 2427.04 g/mol, XLogP of 46.78, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 24,24-dimethyl-3-(4-naphthalen-2-ylquinazolin-2-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[1-(4-phenylphenyl)isoquinolin-3-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24,24-dimethyl-3-[4-(4-phenylphenyl)quinolin-2-yl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(4,8-diphenyl-1,5-naphthyridin-2-yl)-24,24-dimethyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 160925329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).