2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole

C30H22N2 — CID 144579264

IUPAC2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole
SMILESC1=Cc2c([nH]c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)CC1
InChIInChI=1S/C30H22N2/c1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)25-16-14-21(19-30(25)32)20-15-17-28-26(18-20)23-10-4-6-12-27(23)31-28/h1-5,7-11,13-19,31H,6,12H2
InChIKeyZQULZUUPHIFESI-UHFFFAOYSA-N
MW410.52 g/mol
LogP7.89
Rot. Bonds2

About 2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole

2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole (PubChem CID 144579264) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole
PubChem CID144579264
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole
SMILESC1=Cc2c([nH]c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)CC1
InChIInChI=1S/C30H22N2/c1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)25-16-14-21(19-30(25)32)20-15-17-28-26(18-20)23-10-4-6-12-27(23)31-28/h1-5,7-11,13-19,31H,6,12H2
InChIKeyZQULZUUPHIFESI-UHFFFAOYSA-N
XLogP7.89
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole?
The IUPAC name of 2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole (CID 144579264) is 2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole?
The canonical SMILES for 2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole is C1=Cc2c([nH]c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)CC1.
What is the InChIKey of 2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole?
The InChIKey is ZQULZUUPHIFESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)25-16-14-21(19-30(25)32)20-15-17-28-26(18-20)23-10-4-6-12-27(23)31-28/h1-5,7-11,13-19,31H,6,12H2.
What are the key properties of 2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole?
2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole has a molecular weight of 410.52 g/mol, XLogP of 7.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,9-dihydro-7H-carbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 144579264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).