4-benzo[c]phenanthren-5-yl-9-phenylcarbazole

C36H23N — CID 121287474

IUPAC4-benzo[c]phenanthren-5-yl-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4cc5ccc6ccccc6c5c5ccccc45)cccc32)cc1
InChIInChI=1S/C36H23N/c1-2-12-26(13-3-1)37-33-19-9-8-17-31(33)36-30(18-10-20-34(36)37)32-23-25-22-21-24-11-4-5-14-27(24)35(25)29-16-7-6-15-28(29)32/h1-23H
InChIKeyWLGWDYFJTIYCLD-UHFFFAOYSA-N
MW469.59 g/mol
LogP9.91
Rot. Bonds2

About 4-benzo[c]phenanthren-5-yl-9-phenylcarbazole

4-benzo[c]phenanthren-5-yl-9-phenylcarbazole (PubChem CID 121287474) has the molecular formula C36H23N and a molecular weight of 469.59 g/mol. Its IUPAC name is 4-benzo[c]phenanthren-5-yl-9-phenylcarbazole.

Molecular Properties

Compound Name4-benzo[c]phenanthren-5-yl-9-phenylcarbazole
PubChem CID121287474
Molecular FormulaC36H23N
Molecular Weight469.59 g/mol
Exact Mass469.18
IUPAC Name4-benzo[c]phenanthren-5-yl-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4cc5ccc6ccccc6c5c5ccccc45)cccc32)cc1
InChIInChI=1S/C36H23N/c1-2-12-26(13-3-1)37-33-19-9-8-17-31(33)36-30(18-10-20-34(36)37)32-23-25-22-21-24-11-4-5-14-27(24)35(25)29-16-7-6-15-28(29)32/h1-23H
InChIKeyWLGWDYFJTIYCLD-UHFFFAOYSA-N
XLogP9.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 59.91
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

4-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylcarbazole
CID 134507252
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
5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369788
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369811
10-(9-fluoranthen-2-ylcarbazol-3-yl)-7-phenylbenzo[c]carbazole
CID 130294957
9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole
CID 171428659
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
7-(9-fluoranthen-2-ylcarbazol-3-yl)benzo[c]carbazole
CID 130295338
5-phenanthren-3-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369812
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342
9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole
CID 90126083

Frequently Asked Questions

What is the IUPAC name of 4-benzo[c]phenanthren-5-yl-9-phenylcarbazole?
The IUPAC name of 4-benzo[c]phenanthren-5-yl-9-phenylcarbazole (CID 121287474) is 4-benzo[c]phenanthren-5-yl-9-phenylcarbazole.
What is the SMILES notation for 4-benzo[c]phenanthren-5-yl-9-phenylcarbazole?
The canonical SMILES for 4-benzo[c]phenanthren-5-yl-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3c(-c4cc5ccc6ccccc6c5c5ccccc45)cccc32)cc1.
What is the InChIKey of 4-benzo[c]phenanthren-5-yl-9-phenylcarbazole?
The InChIKey is WLGWDYFJTIYCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N/c1-2-12-26(13-3-1)37-33-19-9-8-17-31(33)36-30(18-10-20-34(36)37)32-23-25-22-21-24-11-4-5-14-27(24)35(25)29-16-7-6-15-28(29)32/h1-23H.
What are the key properties of 4-benzo[c]phenanthren-5-yl-9-phenylcarbazole?
4-benzo[c]phenanthren-5-yl-9-phenylcarbazole has a molecular weight of 469.59 g/mol, XLogP of 9.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[c]phenanthren-5-yl-9-phenylcarbazole is sourced from PubChem (CID 121287474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).