11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene

C41H27N3O — CID 118602137

IUPAC11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene
SMILESCC1(C)c2ccccc2-c2oc3c(ccc4c5ccc6ccccc6c5n(-c5nc(-c6ccccc6)c6ccccc6n5)c43)c21
InChIInChI=1S/C41H27N3O/c1-41(2)32-18-10-8-16-29(32)38-34(41)31-23-22-28-27-21-20-24-12-6-7-15-26(24)36(27)44(37(28)39(31)45-38)40-42-33-19-11-9-17-30(33)35(43-40)25-13-4-3-5-14-25/h3-23H,1-2H3
InChIKeyKSNBVYRORYVZTG-UHFFFAOYSA-N
MW577.69 g/mol
LogP10.60
Rot. Bonds2

About 11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene

11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene (PubChem CID 118602137) has the molecular formula C41H27N3O and a molecular weight of 577.69 g/mol. Its IUPAC name is 11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene.

Molecular Properties

Compound Name11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene
PubChem CID118602137
Molecular FormulaC41H27N3O
Molecular Weight577.69 g/mol
Exact Mass577.22
IUPAC Name11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene
SMILESCC1(C)c2ccccc2-c2oc3c(ccc4c5ccc6ccccc6c5n(-c5nc(-c6ccccc6)c6ccccc6n5)c43)c21
InChIInChI=1S/C41H27N3O/c1-41(2)32-18-10-8-16-29(32)38-34(41)31-23-22-28-27-21-20-24-12-6-7-15-26(24)36(27)44(37(28)39(31)45-38)40-42-33-19-11-9-17-30(33)35(43-40)25-13-4-3-5-14-25/h3-23H,1-2H3
InChIKeyKSNBVYRORYVZTG-UHFFFAOYSA-N
XLogP10.60
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene with MolForge

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Related Compounds

3-(4,6-diphenylquinazolin-2-yl)-15,15-dimethyl-23-oxa-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 118602121
3,3-dimethyl-18-(4-phenylquinazolin-2-yl)-15-oxa-18-azaheptacyclo[14.11.0.02,14.04,13.07,12.017,25.019,24]heptacosa-1(16),2(14),4(13),5,7,9,11,17(25),19,21,23,26-dodecaene
CID 118602146
10-(9,9-dimethylfluoren-2-yl)-12-[4-(4-phenylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 134552638
5,5-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.06,11.017,26.018,23]heptacosa-1(16),2(13),4(12),6,8,10,14,17(26),18,20,22,24-dodecaene
CID 118602287
13,13-dimethyl-18-(4-phenylquinazolin-2-yl)-15-oxa-18-azaheptacyclo[14.11.0.02,14.03,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,17(25),19,21,23,26-dodecaene
CID 118602298
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568640
15,15-dimethyl-7-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20-decaene;19,19-dimethyl-3-(4-phenylquinazolin-2-yl)-27-oxa-3-azaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.020,25]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),20,22,24-dodecaene;7,7-dimethyl-18-(4-phenylquinazolin-2-yl)-15-oxa-18-azanonacyclo[17.16.0.02,17.05,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),8,10,12,20,22,24,26,28,30,32,34-hexadecaene;7,7-dimethyl-18-(4-phenylquinazolin-2-yl)-15-thia-18-azanonacyclo[17.16.0.02,17.05,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),8,10,12,20,22,24,26,28,30,32,34-hexadecaene
CID 158952711
10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole
CID 129194138
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
10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142570112
10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568833
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

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene?
The IUPAC name of 11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene (CID 118602137) is 11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene.
What is the SMILES notation for 11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene?
The canonical SMILES for 11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene is CC1(C)c2ccccc2-c2oc3c(ccc4c5ccc6ccccc6c5n(-c5nc(-c6ccccc6)c6ccccc6n5)c43)c21.
What is the InChIKey of 11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene?
The InChIKey is KSNBVYRORYVZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3O/c1-41(2)32-18-10-8-16-29(32)38-34(41)31-23-22-28-27-21-20-24-12-6-7-15-26(24)36(27)44(37(28)39(31)45-38)40-42-33-19-11-9-17-30(33)35(43-40)25-13-4-3-5-14-25/h3-23H,1-2H3.
What are the key properties of 11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene?
11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene has a molecular weight of 577.69 g/mol, XLogP of 10.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-27-(4-phenylquinazolin-2-yl)-3-oxa-27-azaheptacyclo[14.11.0.02,13.04,12.05,10.017,26.020,25]heptacosa-1(16),2(13),4(12),5,7,9,14,17(26),18,20,22,24-dodecaene is sourced from PubChem (CID 118602137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).