7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole

C40H25N — CID 130351506

IUPAC7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole
SMILESc1ccc2cc(-n3c4ccccc4c4c5cc(-c6ccc7c(ccc8ccccc87)c6)ccc5ccc43)ccc2c1
InChIInChI=1S/C40H25N/c1-2-9-29-24-33(20-17-26(29)7-1)41-38-12-6-5-11-36(38)40-37-25-31(15-13-28(37)19-22-39(40)41)30-18-21-35-32(23-30)16-14-27-8-3-4-10-34(27)35/h1-25H
InChIKeyGXGGBCPXIMSNFG-UHFFFAOYSA-N
MW519.65 g/mol
LogP11.06
Rot. Bonds2

About 7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole

7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole (PubChem CID 130351506) has the molecular formula C40H25N and a molecular weight of 519.65 g/mol. Its IUPAC name is 7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole.

Molecular Properties

Compound Name7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole
PubChem CID130351506
Molecular FormulaC40H25N
Molecular Weight519.65 g/mol
Exact Mass519.20
IUPAC Name7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole
SMILESc1ccc2cc(-n3c4ccccc4c4c5cc(-c6ccc7c(ccc8ccccc87)c6)ccc5ccc43)ccc2c1
InChIInChI=1S/C40H25N/c1-2-9-29-24-33(20-17-26(29)7-1)41-38-12-6-5-11-36(38)40-37-25-31(15-13-28(37)19-22-39(40)41)30-18-21-35-32(23-30)16-14-27-8-3-4-10-34(27)35/h1-25H
InChIKeyGXGGBCPXIMSNFG-UHFFFAOYSA-N
XLogP11.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 511.06
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

3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
7-naphthalen-2-yl-2-(7-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351413
7-naphthalen-2-yl-10-(7-naphthalen-2-ylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 118919598
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole
CID 167038246
3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole
CID 146368758
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenanthren-3-ylbenzo[c]carbazole
CID 131979639
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole;7-phenyl-3-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole
CID 159885247
3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole
CID 145064061
3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole
CID 130351529

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole?
The IUPAC name of 7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole (CID 130351506) is 7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole.
What is the SMILES notation for 7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole?
The canonical SMILES for 7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole is c1ccc2cc(-n3c4ccccc4c4c5cc(-c6ccc7c(ccc8ccccc87)c6)ccc5ccc43)ccc2c1.
What is the InChIKey of 7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole?
The InChIKey is GXGGBCPXIMSNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N/c1-2-9-29-24-33(20-17-26(29)7-1)41-38-12-6-5-11-36(38)40-37-25-31(15-13-28(37)19-22-39(40)41)30-18-21-35-32(23-30)16-14-27-8-3-4-10-34(27)35/h1-25H.
What are the key properties of 7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole?
7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole has a molecular weight of 519.65 g/mol, XLogP of 11.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole is sourced from PubChem (CID 130351506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).