2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole

C42H27N — CID 130351286

IUPAC2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c5cc(-c6cc7ccccc7c7ccccc67)ccc5ccc43)cc2)cc1
InChIInChI=1S/C42H27N/c1-2-10-28(11-3-1)29-20-23-33(24-21-29)43-40-17-9-8-16-37(40)42-39-27-32(19-18-30(39)22-25-41(42)43)38-26-31-12-4-5-13-34(31)35-14-6-7-15-36(35)38/h1-27H
InChIKeyRBODOCLKBAEACQ-UHFFFAOYSA-N
MW545.69 g/mol
LogP11.58
Rot. Bonds3

About 2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole

2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole (PubChem CID 130351286) has the molecular formula C42H27N and a molecular weight of 545.69 g/mol. Its IUPAC name is 2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole.

Molecular Properties

Compound Name2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole
PubChem CID130351286
Molecular FormulaC42H27N
Molecular Weight545.69 g/mol
Exact Mass545.21
IUPAC Name2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c5cc(-c6cc7ccccc7c7ccccc67)ccc5ccc43)cc2)cc1
InChIInChI=1S/C42H27N/c1-2-10-28(11-3-1)29-20-23-33(24-21-29)43-40-17-9-8-16-37(40)42-39-27-32(19-18-30(39)22-25-41(42)43)38-26-31-12-4-5-13-34(31)35-14-6-7-15-36(35)38/h1-27H
InChIKeyRBODOCLKBAEACQ-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

3-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-(4-phenylphenyl)benzo[c]carbazole
CID 130351412
3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 118972103
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenanthren-3-ylbenzo[c]carbazole
CID 131979639
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
CID 144989994
2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 160886256
3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 118971958
9,24-bis(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146253453
7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole
CID 130351506
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline;4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 159415569

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole?
The IUPAC name of 2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole (CID 130351286) is 2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole.
What is the SMILES notation for 2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole?
The canonical SMILES for 2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4c5cc(-c6cc7ccccc7c7ccccc67)ccc5ccc43)cc2)cc1.
What is the InChIKey of 2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole?
The InChIKey is RBODOCLKBAEACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N/c1-2-10-28(11-3-1)29-20-23-33(24-21-29)43-40-17-9-8-16-37(40)42-39-27-32(19-18-30(39)22-25-41(42)43)38-26-31-12-4-5-13-34(31)35-14-6-7-15-36(35)38/h1-27H.
What are the key properties of 2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole?
2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]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 2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole is sourced from PubChem (CID 130351286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).