9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole

C29H21N3 — CID 121412519

IUPAC9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole
SMILESC1=CN(n2c3ccccc3c3ccccc32)CC(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C29H21N3/c1-5-15-26-22(11-1)23-12-2-6-16-27(23)31(26)21-10-9-19-30(20-21)32-28-17-7-3-13-24(28)25-14-4-8-18-29(25)32/h1-19H,20H2
InChIKeyHSEBLKCAKWVFSN-UHFFFAOYSA-N
MW411.51 g/mol
LogP6.91
Rot. Bonds2

About 9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole

9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole (PubChem CID 121412519) has the molecular formula C29H21N3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole.

Molecular Properties

Compound Name9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole
PubChem CID121412519
Molecular FormulaC29H21N3
Molecular Weight411.51 g/mol
Exact Mass411.17
IUPAC Name9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole
SMILESC1=CN(n2c3ccccc3c3ccccc32)CC(n2c3ccccc3c3ccccc32)=C1
InChIInChI=1S/C29H21N3/c1-5-15-26-22(11-1)23-12-2-6-16-27(23)31(26)21-10-9-19-30(20-21)32-28-17-7-3-13-24(28)25-14-4-8-18-29(25)32/h1-19H,20H2
InChIKeyHSEBLKCAKWVFSN-UHFFFAOYSA-N
XLogP6.91
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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9-(3-bromonaphthalen-2-yl)carbazole
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9-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134442711
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-4-phenylaniline
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CID 139570160

Frequently Asked Questions

What is the IUPAC name of 9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole?
The IUPAC name of 9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole (CID 121412519) is 9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole.
What is the SMILES notation for 9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole?
The canonical SMILES for 9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole is C1=CN(n2c3ccccc3c3ccccc32)CC(n2c3ccccc3c3ccccc32)=C1.
What is the InChIKey of 9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole?
The InChIKey is HSEBLKCAKWVFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3/c1-5-15-26-22(11-1)23-12-2-6-16-27(23)31(26)21-10-9-19-30(20-21)32-28-17-7-3-13-24(28)25-14-4-8-18-29(25)32/h1-19H,20H2.
What are the key properties of 9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole?
9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole has a molecular weight of 411.51 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-carbazol-9-yl-2H-pyridin-3-yl)carbazole is sourced from PubChem (CID 121412519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).