7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole

C44H28N2 — CID 130351055

IUPAC7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)cc4ccc32)cc1
InChIInChI=1S/C44H28N2/c1-3-12-33(13-4-1)45-39-18-10-9-17-37(39)43-36-23-19-30(27-32(36)22-26-41(43)45)31-21-24-40-38(28-31)44-35-16-8-7-11-29(35)20-25-42(44)46(40)34-14-5-2-6-15-34/h1-28H
InChIKeyUYHKHBJTULEYCJ-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.85
Rot. Bonds3

About 7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole

7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole (PubChem CID 130351055) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
PubChem CID130351055
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)cc4ccc32)cc1
InChIInChI=1S/C44H28N2/c1-3-12-33(13-4-1)45-39-18-10-9-17-37(39)43-36-23-19-30(27-32(36)22-26-41(43)45)31-21-24-40-38(28-31)44-35-16-8-7-11-29(35)20-25-42(44)46(40)34-14-5-2-6-15-34/h1-28H
InChIKeyUYHKHBJTULEYCJ-UHFFFAOYSA-N
XLogP11.85
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole?
The IUPAC name of 7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole (CID 130351055) is 7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole.
What is the SMILES notation for 7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole?
The canonical SMILES for 7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole is c1ccc(-n2c3ccccc3c3c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)cc4ccc32)cc1.
What is the InChIKey of 7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole?
The InChIKey is UYHKHBJTULEYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-3-12-33(13-4-1)45-39-18-10-9-17-37(39)43-36-23-19-30(27-32(36)22-26-41(43)45)31-21-24-40-38(28-31)44-35-16-8-7-11-29(35)20-25-42(44)46(40)34-14-5-2-6-15-34/h1-28H.
What are the key properties of 7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole?
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole has a molecular weight of 584.72 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole is sourced from PubChem (CID 130351055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).