9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole

C36H26N2 — CID 144650170

IUPAC9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc23)CC1
InChIInChI=1S/C36H26N2/c1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-21-19-25(23-35(31)37)26-20-22-32-30-16-8-10-18-34(30)38(36(32)24-26)28-13-5-2-6-14-28/h1-9,11-17,19-24H,10,18H2
InChIKeyBOZXFPLSACIYBE-UHFFFAOYSA-N
MW486.62 g/mol
LogP9.35
Rot. Bonds3

About 9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole

9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole (PubChem CID 144650170) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
PubChem CID144650170
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Name9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc23)CC1
InChIInChI=1S/C36H26N2/c1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-21-19-25(23-35(31)37)26-20-22-32-30-16-8-10-18-34(30)38(36(32)24-26)28-13-5-2-6-14-28/h1-9,11-17,19-24H,10,18H2
InChIKeyBOZXFPLSACIYBE-UHFFFAOYSA-N
XLogP9.35
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole?
The IUPAC name of 9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole (CID 144650170) is 9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole.
What is the SMILES notation for 9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole?
The canonical SMILES for 9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole is C1=Cc2c(n(-c3ccccc3)c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc23)CC1.
What is the InChIKey of 9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole?
The InChIKey is BOZXFPLSACIYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-21-19-25(23-35(31)37)26-20-22-32-30-16-8-10-18-34(30)38(36(32)24-26)28-13-5-2-6-14-28/h1-9,11-17,19-24H,10,18H2.
What are the key properties of 9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole?
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole has a molecular weight of 486.62 g/mol, XLogP of 9.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole is sourced from PubChem (CID 144650170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).