2-carbazol-9-yl-9-[3-(4-isocyanophenyl)phenyl]carbazole

C37H23N3 — CID 140760413

IUPAC2-carbazol-9-yl-9-[3-(4-isocyanophenyl)phenyl]carbazole
SMILES[C-]#[N+]c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)cc1
InChIInChI=1S/C37H23N3/c1-38-27-19-17-25(18-20-27)26-9-8-10-28(23-26)40-36-16-7-4-13-32(36)33-22-21-29(24-37(33)40)39-34-14-5-2-11-30(34)31-12-3-6-15-35(31)39/h2-24H
InChIKeyBPUJWJQSAPUGAE-UHFFFAOYSA-N
MW509.61 g/mol
LogP10.10
Rot. Bonds3

About 2-carbazol-9-yl-9-[3-(4-isocyanophenyl)phenyl]carbazole

2-carbazol-9-yl-9-[3-(4-isocyanophenyl)phenyl]carbazole (PubChem CID 140760413) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[3-(4-isocyanophenyl)phenyl]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-[3-(4-isocyanophenyl)phenyl]carbazole
PubChem CID140760413
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name2-carbazol-9-yl-9-[3-(4-isocyanophenyl)phenyl]carbazole
SMILES[C-]#[N+]c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)cc1
InChIInChI=1S/C37H23N3/c1-38-27-19-17-25(18-20-27)26-9-8-10-28(23-26)40-36-16-7-4-13-32(36)33-22-21-29(24-37(33)40)39-34-14-5-2-11-30(34)31-12-3-6-15-35(31)39/h2-24H
InChIKeyBPUJWJQSAPUGAE-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

2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 123269326
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
9-[9-[3-(4-isocyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 140760238
3-[9-(4-isocyanophenyl)carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 140708240
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 174179540
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165058453
3-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 140760373
2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659751
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[3-(4-isocyanophenyl)phenyl]carbazole?
The IUPAC name of 2-carbazol-9-yl-9-[3-(4-isocyanophenyl)phenyl]carbazole (CID 140760413) is 2-carbazol-9-yl-9-[3-(4-isocyanophenyl)phenyl]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-9-[3-(4-isocyanophenyl)phenyl]carbazole?
The canonical SMILES for 2-carbazol-9-yl-9-[3-(4-isocyanophenyl)phenyl]carbazole is [C-]#[N+]c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)cc1.
What is the InChIKey of 2-carbazol-9-yl-9-[3-(4-isocyanophenyl)phenyl]carbazole?
The InChIKey is BPUJWJQSAPUGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c1-38-27-19-17-25(18-20-27)26-9-8-10-28(23-26)40-36-16-7-4-13-32(36)33-22-21-29(24-37(33)40)39-34-14-5-2-11-30(34)31-12-3-6-15-35(31)39/h2-24H.
What are the key properties of 2-carbazol-9-yl-9-[3-(4-isocyanophenyl)phenyl]carbazole?
2-carbazol-9-yl-9-[3-(4-isocyanophenyl)phenyl]carbazole 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 2-carbazol-9-yl-9-[3-(4-isocyanophenyl)phenyl]carbazole is sourced from PubChem (CID 140760413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).