7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole

C42H27N3 — CID 166849308

IUPAC7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5cccc(-c6ccccc6)c5c5ccc6ccccc6c54)c3)nc3ccccc23)cc1
InChIInChI=1S/C42H27N3/c1-3-13-28(14-4-1)33-22-12-24-38-39(33)36-26-25-29-15-7-8-20-34(29)41(36)45(38)32-19-11-18-31(27-32)42-43-37-23-10-9-21-35(37)40(44-42)30-16-5-2-6-17-30/h1-27H
InChIKeyJRMHEHGTLROGON-UHFFFAOYSA-N
MW573.70 g/mol
LogP10.88
Rot. Bonds4

About 7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole

7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole (PubChem CID 166849308) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole.

Molecular Properties

Compound Name7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole
PubChem CID166849308
Molecular FormulaC42H27N3
Molecular Weight573.70 g/mol
Exact Mass573.22
IUPAC Name7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5cccc(-c6ccccc6)c5c5ccc6ccccc6c54)c3)nc3ccccc23)cc1
InChIInChI=1S/C42H27N3/c1-3-13-28(14-4-1)33-22-12-24-38-39(33)36-26-25-29-15-7-8-20-34(29)41(36)45(38)32-19-11-18-31(27-32)42-43-37-23-10-9-21-35(37)40(44-42)30-16-5-2-6-17-30/h1-27H
InChIKeyJRMHEHGTLROGON-UHFFFAOYSA-N
XLogP10.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

14-(4-phenylphenyl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165955
11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole
CID 145158985
12-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149674
2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375421
12-[3-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]-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 139362039
1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole
CID 146375727
12-[3-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149655
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165871
7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole
CID 155114239
6-[3-(4-phenylquinazolin-2-yl)phenyl]-15-thia-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.017,26.018,23]octacosa-1(16),2(14),3,5(13),7,9,11,17(26),18,20,22,24,27-tridecaene
CID 163734665
23-phenyl-19-(4-phenylquinazolin-2-yl)-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 171044294
4-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678197

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole?
The IUPAC name of 7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole (CID 166849308) is 7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole.
What is the SMILES notation for 7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole?
The canonical SMILES for 7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5cccc(-c6ccccc6)c5c5ccc6ccccc6c54)c3)nc3ccccc23)cc1.
What is the InChIKey of 7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole?
The InChIKey is JRMHEHGTLROGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c1-3-13-28(14-4-1)33-22-12-24-38-39(33)36-26-25-29-15-7-8-20-34(29)41(36)45(38)32-19-11-18-31(27-32)42-43-37-23-10-9-21-35(37)40(44-42)30-16-5-2-6-17-30/h1-27H.
What are the key properties of 7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole?
7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole has a molecular weight of 573.70 g/mol, XLogP of 10.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole is sourced from PubChem (CID 166849308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).