1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole

C37H23N3 — CID 140759923

IUPAC1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole
SMILES[C-]#[N+]c1ccccc1-n1c2ccccc2c2cccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c21
InChIInChI=1S/C37H23N3/c1-38-32-21-7-10-24-35(32)40-34-23-9-6-16-27(34)29-18-12-20-31(37(29)40)30-19-11-17-28-26-15-5-8-22-33(26)39(36(28)30)25-13-3-2-4-14-25/h2-24H
InChIKeyIPVJGKGAIQHMRZ-UHFFFAOYSA-N
MW509.61 g/mol
LogP10.10
Rot. Bonds3

About 1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole

1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole (PubChem CID 140759923) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole
PubChem CID140759923
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole
SMILES[C-]#[N+]c1ccccc1-n1c2ccccc2c2cccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c21
InChIInChI=1S/C37H23N3/c1-38-32-21-7-10-24-35(32)40-34-23-9-6-16-27(34)29-18-12-20-31(37(29)40)30-19-11-17-28-26-15-5-8-22-33(26)39(36(28)30)25-13-3-2-4-14-25/h2-24H
InChIKeyIPVJGKGAIQHMRZ-UHFFFAOYSA-N
XLogP10.10
TPSA14.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole
CID 140759921
1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole
CID 140760424
6-isocyano-9-(3-isocyanophenyl)-1-(9-phenylcarbazol-1-yl)carbazole
CID 140759875
4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole
CID 140760363
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole
CID 140820496
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
5-phenyl-5,21-diazaoctacyclo[19.10.1.02,14.04,12.06,11.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,6,8,10,12,15,17,19,22,24,26,28(32),29-pentadecaene
CID 126699843
8,14-diphenyl-3,19-bis(9-phenylcarbazol-1-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 153317361
1-(2,6-diisocyanophenyl)-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 140877419
9-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221348
1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 155335011

Frequently Asked Questions

What is the IUPAC name of 1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole?
The IUPAC name of 1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole (CID 140759923) is 1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole is [C-]#[N+]c1ccccc1-n1c2ccccc2c2cccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c21.
What is the InChIKey of 1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole?
The InChIKey is IPVJGKGAIQHMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c1-38-32-21-7-10-24-35(32)40-34-23-9-6-16-27(34)29-18-12-20-31(37(29)40)30-19-11-17-28-26-15-5-8-22-33(26)39(36(28)30)25-13-3-2-4-14-25/h2-24H.
What are the key properties of 1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole?
1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole has a molecular weight of 509.61 g/mol, XLogP of 10.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 140759923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).