9-(3-benzo[c]phenanthren-2-yl-5-phenylphenyl)carbazole

C42H27N — CID 137458513

IUPAC9-(3-benzo[c]phenanthren-2-yl-5-phenylphenyl)carbazole
SMILESc1ccc(-c2cc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C42H27N/c1-2-10-28(11-3-1)33-24-34(26-35(25-33)43-40-16-8-6-14-37(40)38-15-7-9-17-41(38)43)32-23-20-30-19-22-31-21-18-29-12-4-5-13-36(29)42(31)39(30)27-32/h1-27H
InChIKeyKAOXDURWOVIHIE-UHFFFAOYSA-N
MW545.69 g/mol
LogP11.58
Rot. Bonds3

About 9-(3-benzo[c]phenanthren-2-yl-5-phenylphenyl)carbazole

9-(3-benzo[c]phenanthren-2-yl-5-phenylphenyl)carbazole (PubChem CID 137458513) has the molecular formula C42H27N and a molecular weight of 545.69 g/mol. Its IUPAC name is 9-(3-benzo[c]phenanthren-2-yl-5-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-(3-benzo[c]phenanthren-2-yl-5-phenylphenyl)carbazole
PubChem CID137458513
Molecular FormulaC42H27N
Molecular Weight545.69 g/mol
Exact Mass545.21
IUPAC Name9-(3-benzo[c]phenanthren-2-yl-5-phenylphenyl)carbazole
SMILESc1ccc(-c2cc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C42H27N/c1-2-10-28(11-3-1)33-24-34(26-35(25-33)43-40-16-8-6-14-37(40)38-15-7-9-17-41(38)43)32-23-20-30-19-22-31-21-18-29-12-4-5-13-36(29)42(31)39(30)27-32/h1-27H
InChIKeyKAOXDURWOVIHIE-UHFFFAOYSA-N
XLogP11.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.69
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-(3,5-diphenylphenyl)-3-[8-[9-(3,5-diphenylphenyl)carbazol-3-yl]naphthalen-1-yl]carbazole
CID 169016186
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 146262895
3-[9-(3-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(3-triphenylen-2-ylphenyl)carbazole
CID 158289960
3-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
CID 157108405
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137464
11-(3,5-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)indolo[3,2-b]carbazole
CID 118318933

Frequently Asked Questions

What is the IUPAC name of 9-(3-benzo[c]phenanthren-2-yl-5-phenylphenyl)carbazole?
The IUPAC name of 9-(3-benzo[c]phenanthren-2-yl-5-phenylphenyl)carbazole (CID 137458513) is 9-(3-benzo[c]phenanthren-2-yl-5-phenylphenyl)carbazole.
What is the SMILES notation for 9-(3-benzo[c]phenanthren-2-yl-5-phenylphenyl)carbazole?
The canonical SMILES for 9-(3-benzo[c]phenanthren-2-yl-5-phenylphenyl)carbazole is c1ccc(-c2cc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-(3-benzo[c]phenanthren-2-yl-5-phenylphenyl)carbazole?
The InChIKey is KAOXDURWOVIHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N/c1-2-10-28(11-3-1)33-24-34(26-35(25-33)43-40-16-8-6-14-37(40)38-15-7-9-17-41(38)43)32-23-20-30-19-22-31-21-18-29-12-4-5-13-36(29)42(31)39(30)27-32/h1-27H.
What are the key properties of 9-(3-benzo[c]phenanthren-2-yl-5-phenylphenyl)carbazole?
9-(3-benzo[c]phenanthren-2-yl-5-phenylphenyl)carbazole has a molecular weight of 545.69 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-benzo[c]phenanthren-2-yl-5-phenylphenyl)carbazole is sourced from PubChem (CID 137458513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).