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

C44H30N4 — CID 139310417

IUPAC24,24-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
SMILESCC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2cccnc2n1-c1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1
InChIInChI=1S/C44H30N4/c1-44(2)35-20-10-8-17-32(35)37-30-15-6-7-16-31(30)38-34-19-12-26-45-42(34)48(41(38)39(37)44)43-46-36-21-11-9-18-33(36)40(47-43)29-24-22-28(23-25-29)27-13-4-3-5-14-27/h3-26H,1-2H3
InChIKeyUXUNOUBYOMBSMD-UHFFFAOYSA-N
MW614.75 g/mol
LogP10.92
Rot. Bonds3

About 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

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 (PubChem CID 139310417) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name24,24-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
PubChem CID139310417
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name24,24-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
SMILESCC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2cccnc2n1-c1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1
InChIInChI=1S/C44H30N4/c1-44(2)35-20-10-8-17-32(35)37-30-15-6-7-16-31(30)38-34-19-12-26-45-42(34)48(41(38)39(37)44)43-46-36-21-11-9-18-33(36)40(47-43)29-24-22-28(23-25-29)27-13-4-3-5-14-27/h3-26H,1-2H3
InChIKeyUXUNOUBYOMBSMD-UHFFFAOYSA-N
XLogP10.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
19-(9,9-dimethylfluoren-4-yl)-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142571088
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
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
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
3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]-24-thia-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 134361361
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
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
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
10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole
CID 129194138
1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486
19-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142568396

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)c2cccnc2n1-c1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1.
What is the InChIKey of 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?
The InChIKey is UXUNOUBYOMBSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c1-44(2)35-20-10-8-17-32(35)37-30-15-6-7-16-31(30)38-34-19-12-26-45-42(34)48(41(38)39(37)44)43-46-36-21-11-9-18-33(36)40(47-43)29-24-22-28(23-25-29)27-13-4-3-5-14-27/h3-26H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 614.75 g/mol, XLogP of 10.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139310417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).