2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole

C52H32N4 — CID 146375421

IUPAC2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccc(-n6c7ccccc7c7ccc8ccccc8c76)cc5c5cc6ccccc6cc54)c3)nc3ccccc23)cc1
InChIInChI=1S/C52H32N4/c1-2-14-34(15-3-1)50-43-22-8-10-23-46(43)53-52(54-50)37-18-12-19-38(29-37)55-48-28-26-39(32-45(48)44-30-35-16-4-5-17-36(35)31-49(44)55)56-47-24-11-9-21-41(47)42-27-25-33-13-6-7-20-40(33)51(42)56/h1-32H
InChIKeyKVGMSBTVLBKLIJ-UHFFFAOYSA-N
MW712.86 g/mol
LogP13.46
Rot. Bonds4

About 2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole

2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 146375421) has the molecular formula C52H32N4 and a molecular weight of 712.86 g/mol. Its IUPAC name is 2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole
PubChem CID146375421
Molecular FormulaC52H32N4
Molecular Weight712.86 g/mol
Exact Mass712.26
IUPAC Name2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccc(-n6c7ccccc7c7ccc8ccccc8c76)cc5c5cc6ccccc6cc54)c3)nc3ccccc23)cc1
InChIInChI=1S/C52H32N4/c1-2-14-34(15-3-1)50-43-22-8-10-23-46(43)53-52(54-50)37-18-12-19-38(29-37)55-48-28-26-39(32-45(48)44-30-35-16-4-5-17-36(35)31-49(44)55)56-47-24-11-9-21-41(47)42-27-25-33-13-6-7-20-40(33)51(42)56/h1-32H
InChIKeyKVGMSBTVLBKLIJ-UHFFFAOYSA-N
XLogP13.46
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.86
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375622
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
5-[3-(4-phenanthren-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 139362132
28-phenyl-23-[22-phenyl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-6-yl]-14-[4-(4-phenylquinazolin-2-yl)phenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21(26),22,24-tridecaene
CID 138533201
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
8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
CID 146375702
3-benzo[a]carbazol-11-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155477512
2-benzo[a]carbazol-11-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-[2-(4-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-(2-phenylquinazolin-4-yl)benzo[b]carbazole
CID 157060055
3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 139315614
5-[3-(4-phenanthren-9-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 139362117
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole
CID 146375727

Frequently Asked Questions

What is the IUPAC name of 2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole (CID 146375421) is 2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccc(-n6c7ccccc7c7ccc8ccccc8c76)cc5c5cc6ccccc6cc54)c3)nc3ccccc23)cc1.
What is the InChIKey of 2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole?
The InChIKey is KVGMSBTVLBKLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4/c1-2-14-34(15-3-1)50-43-22-8-10-23-46(43)53-52(54-50)37-18-12-19-38(29-37)55-48-28-26-39(32-45(48)44-30-35-16-4-5-17-36(35)31-49(44)55)56-47-24-11-9-21-41(47)42-27-25-33-13-6-7-20-40(33)51(42)56/h1-32H.
What are the key properties of 2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole?
2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole has a molecular weight of 712.86 g/mol, XLogP of 13.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 146375421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).