6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole

C54H34N4 — CID 134552523

IUPAC6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6ccccc6c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C54H34N4/c1-2-14-35(15-3-1)36-26-28-38(29-27-36)52-45-21-6-10-22-47(45)55-54(56-52)58-50-25-13-9-20-44(50)46-34-39-16-4-5-17-41(39)51(53(46)58)37-30-32-40(33-31-37)57-48-23-11-7-18-42(48)43-19-8-12-24-49(43)57/h1-34H
InChIKeyYFZBXVZQGPXIRT-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.98
Rot. Bonds5

About 6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole

6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole (PubChem CID 134552523) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
PubChem CID134552523
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6ccccc6c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C54H34N4/c1-2-14-35(15-3-1)36-26-28-38(29-27-36)52-45-21-6-10-22-47(45)55-54(56-52)58-50-25-13-9-20-44(50)46-34-39-16-4-5-17-41(39)51(53(46)58)37-30-32-40(33-31-37)57-48-23-11-7-18-42(48)43-19-8-12-24-49(43)57/h1-34H
InChIKeyYFZBXVZQGPXIRT-UHFFFAOYSA-N
XLogP13.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552532
14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 134552537
6-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]-1-[4-[4-[3-[5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazol-6-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole
CID 134556124
14-[9-(4-phenylphenyl)carbazol-3-yl]-5-[9-(4-phenylphenyl)-7-[6-phenyl-2-[3-[4-[3-(6-phenylbenzo[b]carbazol-5-yl)carbazol-9-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]carbazol-2-yl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
CID 134556019
6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
CID 134552559
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
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
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene
CID 130259337
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline
CID 134552398
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211

Frequently Asked Questions

What is the IUPAC name of 6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The IUPAC name of 6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole (CID 134552523) is 6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The canonical SMILES for 6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6ccccc6c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c54)nc4ccccc34)cc2)cc1.
What is the InChIKey of 6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The InChIKey is YFZBXVZQGPXIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-2-14-35(15-3-1)36-26-28-38(29-27-36)52-45-21-6-10-22-47(45)55-54(56-52)58-50-25-13-9-20-44(50)46-34-39-16-4-5-17-41(39)51(53(46)58)37-30-32-40(33-31-37)57-48-23-11-7-18-42(48)43-19-8-12-24-49(43)57/h1-34H.
What are the key properties of 6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole?
6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole has a molecular weight of 738.89 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 134552523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).