3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole

C46H29N — CID 59282542

IUPAC3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5cc(-c6ccc7ccccc7c6)c6ccccc6c5c5ccccc45)ccc32)cc1
InChIInChI=1S/C46H29N/c1-2-14-35(15-3-1)47-44-21-11-10-18-38(44)43-27-33(24-25-45(43)47)42-29-34-28-41(32-23-22-30-12-4-5-13-31(30)26-32)36-16-6-8-19-39(36)46(34)40-20-9-7-17-37(40)42/h1-29H
InChIKeyYNOWAHBLDAWYBJ-UHFFFAOYSA-N
MW595.75 g/mol
LogP12.73
Rot. Bonds3

About 3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole

3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole (PubChem CID 59282542) has the molecular formula C46H29N and a molecular weight of 595.75 g/mol. Its IUPAC name is 3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole
PubChem CID59282542
Molecular FormulaC46H29N
Molecular Weight595.75 g/mol
Exact Mass595.23
IUPAC Name3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5cc(-c6ccc7ccccc7c6)c6ccccc6c5c5ccccc45)ccc32)cc1
InChIInChI=1S/C46H29N/c1-2-14-35(15-3-1)47-44-21-11-10-18-38(44)43-27-33(24-25-45(43)47)42-29-34-28-41(32-23-22-30-12-4-5-13-31(30)26-32)36-16-6-8-19-39(36)46(34)40-20-9-7-17-37(40)42/h1-29H
InChIKeyYNOWAHBLDAWYBJ-UHFFFAOYSA-N
XLogP12.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.75
LogP ≤ 512.73
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-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
2-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole
CID 121287520
9-(9-phenylcarbazol-3-yl)-12-[4-(9-phenylcarbazol-3-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 121246572
3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
CID 126764159
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 170244502
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518
4-(6-phenanthren-9-ylnaphthalen-2-yl)-N,N-diphenylaniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158840520
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688

Frequently Asked Questions

What is the IUPAC name of 3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole?
The IUPAC name of 3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole (CID 59282542) is 3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cc5cc(-c6ccc7ccccc7c6)c6ccccc6c5c5ccccc45)ccc32)cc1.
What is the InChIKey of 3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole?
The InChIKey is YNOWAHBLDAWYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N/c1-2-14-35(15-3-1)47-44-21-11-10-18-38(44)43-27-33(24-25-45(43)47)42-29-34-28-41(32-23-22-30-12-4-5-13-31(30)26-32)36-16-6-8-19-39(36)46(34)40-20-9-7-17-37(40)42/h1-29H.
What are the key properties of 3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole?
3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole has a molecular weight of 595.75 g/mol, XLogP of 12.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole is sourced from PubChem (CID 59282542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).