9-(9H-carbazol-2-yl)-2-phenylcarbazole

C30H20N2 — CID 170086059

IUPAC9-(9H-carbazol-2-yl)-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)[nH]c4ccccc45)c3c2)cc1
InChIInChI=1S/C30H20N2/c1-2-8-20(9-3-1)21-14-16-26-25-11-5-7-13-29(25)32(30(26)18-21)22-15-17-24-23-10-4-6-12-27(23)31-28(24)19-22/h1-19,31H
InChIKeyNLOFQLORWHTKPY-UHFFFAOYSA-N
MW408.50 g/mol
LogP8.09
Rot. Bonds2

About 9-(9H-carbazol-2-yl)-2-phenylcarbazole

9-(9H-carbazol-2-yl)-2-phenylcarbazole (PubChem CID 170086059) has the molecular formula C30H20N2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 9-(9H-carbazol-2-yl)-2-phenylcarbazole.

Molecular Properties

Compound Name9-(9H-carbazol-2-yl)-2-phenylcarbazole
PubChem CID170086059
Molecular FormulaC30H20N2
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC Name9-(9H-carbazol-2-yl)-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)[nH]c4ccccc45)c3c2)cc1
InChIInChI=1S/C30H20N2/c1-2-8-20(9-3-1)21-14-16-26-25-11-5-7-13-29(25)32(30(26)18-21)22-15-17-24-23-10-4-6-12-27(23)31-28(24)19-22/h1-19,31H
InChIKeyNLOFQLORWHTKPY-UHFFFAOYSA-N
XLogP8.09
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(9H-carbazol-2-yl)-2-phenylcarbazole?
The IUPAC name of 9-(9H-carbazol-2-yl)-2-phenylcarbazole (CID 170086059) is 9-(9H-carbazol-2-yl)-2-phenylcarbazole.
What is the SMILES notation for 9-(9H-carbazol-2-yl)-2-phenylcarbazole?
The canonical SMILES for 9-(9H-carbazol-2-yl)-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)[nH]c4ccccc45)c3c2)cc1.
What is the InChIKey of 9-(9H-carbazol-2-yl)-2-phenylcarbazole?
The InChIKey is NLOFQLORWHTKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2/c1-2-8-20(9-3-1)21-14-16-26-25-11-5-7-13-29(25)32(30(26)18-21)22-15-17-24-23-10-4-6-12-27(23)31-28(24)19-22/h1-19,31H.
What are the key properties of 9-(9H-carbazol-2-yl)-2-phenylcarbazole?
9-(9H-carbazol-2-yl)-2-phenylcarbazole has a molecular weight of 408.50 g/mol, XLogP of 8.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9H-carbazol-2-yl)-2-phenylcarbazole is sourced from PubChem (CID 170086059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).