3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole

C48H33N — CID 145156378

IUPAC3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole
SMILESC1=CC(c2ccc3c(-c4ccc5ccccc5c4)cc4ccccc4c3c2)CC=C1c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C48H33N/c1-2-13-40(14-3-1)49-47-17-9-8-16-43(47)46-30-37(25-27-48(46)49)34-20-18-33(19-21-34)36-24-26-42-44(31-38-12-6-7-15-41(38)45(42)29-36)39-23-22-32-10-4-5-11-35(32)28-39/h1-18,20-31,33H,19H2
InChIKeyGHIQDVWVVRJACZ-UHFFFAOYSA-N
MW623.80 g/mol
LogP13.04
Rot. Bonds4

About 3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole

3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole (PubChem CID 145156378) has the molecular formula C48H33N and a molecular weight of 623.80 g/mol. Its IUPAC name is 3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole
PubChem CID145156378
Molecular FormulaC48H33N
Molecular Weight623.80 g/mol
Exact Mass623.26
IUPAC Name3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole
SMILESC1=CC(c2ccc3c(-c4ccc5ccccc5c4)cc4ccccc4c3c2)CC=C1c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C48H33N/c1-2-13-40(14-3-1)49-47-17-9-8-16-43(47)46-30-37(25-27-48(46)49)34-20-18-33(19-21-34)36-24-26-42-44(31-38-12-6-7-15-41(38)45(42)29-36)39-23-22-32-10-4-5-11-35(32)28-39/h1-18,20-31,33H,19H2
InChIKeyGHIQDVWVVRJACZ-UHFFFAOYSA-N
XLogP13.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 513.04
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

3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole
CID 59282542
N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline
CID 166723421
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
N,N,9-triphenyl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-2-amine
CID 130241442
N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine
CID 167157236
2-[9-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 144884764
N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine
CID 163564194
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9-[3-(4-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 139438644
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158681478
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]fluoren-2-amine
CID 163616373
3-[3,5-di(phenanthren-9-yl)phenyl]-9-phenylcarbazole
CID 87167202

Frequently Asked Questions

What is the IUPAC name of 3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole (CID 145156378) is 3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole is C1=CC(c2ccc3c(-c4ccc5ccccc5c4)cc4ccccc4c3c2)CC=C1c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole?
The InChIKey is GHIQDVWVVRJACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N/c1-2-13-40(14-3-1)49-47-17-9-8-16-43(47)46-30-37(25-27-48(46)49)34-20-18-33(19-21-34)36-24-26-42-44(31-38-12-6-7-15-41(38)45(42)29-36)39-23-22-32-10-4-5-11-35(32)28-39/h1-18,20-31,33H,19H2.
What are the key properties of 3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole?
3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole has a molecular weight of 623.80 g/mol, XLogP of 13.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 145156378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).