1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole

C64H38N4 — CID 146375454

IUPAC1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2c1c1cc3ccccc3cc1n2-c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc3n2)cc1
InChIInChI=1S/C64H38N4/c1-3-16-42-37-60-54(34-40(42)14-1)51-22-10-12-25-57(51)68(60)59-27-13-26-58-62(59)55-35-41-15-2-4-17-43(41)38-61(55)67(58)45-31-28-39(29-32-45)64-65-56-24-11-9-23-52(56)63(66-64)44-30-33-50-48-20-6-5-18-46(48)47-19-7-8-21-49(47)53(50)36-44/h1-38H
InChIKeyAQKQJKGCSSZMOI-UHFFFAOYSA-N
MW863.04 g/mol
LogP16.92
Rot. Bonds4

About 1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole

1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 146375454) has the molecular formula C64H38N4 and a molecular weight of 863.04 g/mol. Its IUPAC name is 1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
PubChem CID146375454
Molecular FormulaC64H38N4
Molecular Weight863.04 g/mol
Exact Mass862.31
IUPAC Name1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2c1c1cc3ccccc3cc1n2-c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc3n2)cc1
InChIInChI=1S/C64H38N4/c1-3-16-42-37-60-54(34-40(42)14-1)51-22-10-12-25-57(51)68(60)59-27-13-26-58-62(59)55-35-41-15-2-4-17-43(41)38-61(55)67(58)45-31-28-39(29-32-45)64-65-56-24-11-9-23-52(56)63(66-64)44-30-33-50-48-20-6-5-18-46(48)47-19-7-8-21-49(47)53(50)36-44/h1-38H
InChIKeyAQKQJKGCSSZMOI-UHFFFAOYSA-N
XLogP16.92
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.04
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-carbazol-9-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-carbazol-9-yl-5-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[b]carbazole;1-carbazol-9-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 159738156
1-benzo[b]carbazol-5-yl-5-(3-triphenylen-2-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375248
1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole
CID 146375727
12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 138533154
2-[3-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]carbazol-9-yl]benzonitrile
CID 152905214
1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 155114247
1-(4a,11b-dihydrobenzo[a]carbazol-11-yl)-5-[3-(2-triphenylen-2-ylquinazolin-4-yl)phenyl]benzo[b]carbazole
CID 146374908
5-[3-(4-phenanthren-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 139362132
7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
CID 146374669
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375469

Frequently Asked Questions

What is the IUPAC name of 1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole (CID 146375454) is 1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2c1c1cc3ccccc3cc1n2-c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc3n2)cc1.
What is the InChIKey of 1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole?
The InChIKey is AQKQJKGCSSZMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N4/c1-3-16-42-37-60-54(34-40(42)14-1)51-22-10-12-25-57(51)68(60)59-27-13-26-58-62(59)55-35-41-15-2-4-17-43(41)38-61(55)67(58)45-31-28-39(29-32-45)64-65-56-24-11-9-23-52(56)63(66-64)44-30-33-50-48-20-6-5-18-46(48)47-19-7-8-21-49(47)53(50)36-44/h1-38H.
What are the key properties of 1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole?
1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole has a molecular weight of 863.04 g/mol, XLogP of 16.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 146375454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).