2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole

C42H26N4 — CID 146374838

IUPAC2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc5ccccc5cc43)nc3ccccc23)cc1
InChIInChI=1S/C42H26N4/c1-2-12-27(13-3-1)41-33-18-6-9-19-36(33)43-42(44-41)46-39-23-22-30(26-35(39)34-24-28-14-4-5-15-29(28)25-40(34)46)45-37-20-10-7-16-31(37)32-17-8-11-21-38(32)45/h1-26H
InChIKeyLAEOBWUOJYFSPV-UHFFFAOYSA-N
MW586.70 g/mol
LogP10.64
Rot. Bonds3

About 2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole

2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole (PubChem CID 146374838) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
PubChem CID146374838
Molecular FormulaC42H26N4
Molecular Weight586.70 g/mol
Exact Mass586.22
IUPAC Name2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc5ccccc5cc43)nc3ccccc23)cc1
InChIInChI=1S/C42H26N4/c1-2-12-27(13-3-1)41-33-18-6-9-19-36(33)43-42(44-41)46-39-23-22-30(26-35(39)34-24-28-14-4-5-15-29(28)25-40(34)46)45-37-20-10-7-16-31(37)32-17-8-11-21-38(32)45/h1-26H
InChIKeyLAEOBWUOJYFSPV-UHFFFAOYSA-N
XLogP10.64
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
2-benzo[c]carbazol-7-yl-5-[4-(3,5-diphenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375215
10-benzo[b]carbazol-5-yl-7-[4-(2-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 161141967
19-benzo[b]carbazol-5-yl-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene
CID 155335645
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 163545205
9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481400
5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 142474116
45-methyl-12,34-bis(4-phenylquinazolin-2-yl)-12,34-diazanonacyclo[21.21.2.02,11.04,9.013,18.019,46.024,33.026,31.035,40]hexatetraconta-1(45),2,4,6,8,10,13,15,17,19(46),20,22,24,26,28,30,32,35,37,39,41,43-docosaene
CID 170127189

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole (CID 146374838) is 2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole is c1ccc(-c2nc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc5ccccc5cc43)nc3ccccc23)cc1.
What is the InChIKey of 2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole?
The InChIKey is LAEOBWUOJYFSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c1-2-12-27(13-3-1)41-33-18-6-9-19-36(33)43-42(44-41)46-39-23-22-30(26-35(39)34-24-28-14-4-5-15-29(28)25-40(34)46)45-37-20-10-7-16-31(37)32-17-8-11-21-38(32)45/h1-26H.
What are the key properties of 2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole?
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole has a molecular weight of 586.70 g/mol, XLogP of 10.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 146374838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).