3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole

C52H32N4 — CID 146375569

IUPAC3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5cc(-n6c7ccccc7c7c8ccccc8ccc76)ccc5c5cc6ccccc6cc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C52H32N4/c1-2-12-33(13-3-1)34-22-24-36(25-23-34)51-42-18-8-10-20-45(42)53-52(54-51)56-48-31-38-16-5-4-15-37(38)30-44(48)41-28-27-39(32-49(41)56)55-46-21-11-9-19-43(46)50-40-17-7-6-14-35(40)26-29-47(50)55/h1-32H
InChIKeyFTJREUKLWHRCPJ-UHFFFAOYSA-N
MW712.86 g/mol
LogP13.46
Rot. Bonds4

About 3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole

3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole (PubChem CID 146375569) has the molecular formula C52H32N4 and a molecular weight of 712.86 g/mol. Its IUPAC name is 3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
PubChem CID146375569
Molecular FormulaC52H32N4
Molecular Weight712.86 g/mol
Exact Mass712.26
IUPAC Name3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5cc(-n6c7ccccc7c7c8ccccc8ccc76)ccc5c5cc6ccccc6cc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C52H32N4/c1-2-12-33(13-3-1)34-22-24-36(25-23-34)51-42-18-8-10-20-45(42)53-52(54-51)56-48-31-38-16-5-4-15-37(38)30-44(48)41-28-27-39(32-49(41)56)55-46-21-11-9-19-43(46)50-40-17-7-6-14-35(40)26-29-47(50)55/h1-32H
InChIKeyFTJREUKLWHRCPJ-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

9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481400
2-benzo[c]carbazol-7-yl-5-[4-(3,5-diphenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375215
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
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298
2-benzo[c]carbazol-7-yl-5-(4-phenylbenzo[h]quinazolin-2-yl)benzo[b]carbazole
CID 146375723
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481241
3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 166956013
10-benzo[b]carbazol-5-yl-7-[4-(2-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 161141967
9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710
12-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 139361712

Frequently Asked Questions

What is the IUPAC name of 3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The IUPAC name of 3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole (CID 146375569) is 3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The canonical SMILES for 3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc(-n4c5cc(-n6c7ccccc7c7c8ccccc8ccc76)ccc5c5cc6ccccc6cc54)nc4ccccc34)cc2)cc1.
What is the InChIKey of 3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole?
The InChIKey is FTJREUKLWHRCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4/c1-2-12-33(13-3-1)34-22-24-36(25-23-34)51-42-18-8-10-20-45(42)53-52(54-51)56-48-31-38-16-5-4-15-37(38)30-44(48)41-28-27-39(32-49(41)56)55-46-21-11-9-19-43(46)50-40-17-7-6-14-35(40)26-29-47(50)55/h1-32H.
What are the key properties of 3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole?
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]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 3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146375569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).