9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole

C43H27N3 — CID 167403954

IUPAC9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H27N3/c1-44-32-23-24-43-38(28-32)37-18-8-10-20-40(37)45(43)33-26-30(29-13-3-2-4-14-29)25-31(27-33)34-15-5-9-19-39(34)46-41-21-11-6-16-35(41)36-17-7-12-22-42(36)46/h2-28H
InChIKeyWUIDYZZLGRFDPB-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.77
Rot. Bonds4

About 9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole

9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole (PubChem CID 167403954) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole.

Molecular Properties

Compound Name9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole
PubChem CID167403954
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H27N3/c1-44-32-23-24-43-38(28-32)37-18-8-10-20-40(37)45(43)33-26-30(29-13-3-2-4-14-29)25-31(27-33)34-15-5-9-19-39(34)46-41-21-11-6-16-35(41)36-17-7-12-22-42(36)46/h2-28H
InChIKeyWUIDYZZLGRFDPB-UHFFFAOYSA-N
XLogP11.77
TPSA14.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.77
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-carbazol-9-yl-9-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 162702859
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
CID 159275273
9-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-3-isocyanocarbazole
CID 155604945
3-carbazol-9-yl-5-[4-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile
CID 155604698
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole;3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159431839
9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole
CID 140825409
9-[2-[6-(3-carbazol-9-ylphenyl)-2,3-diisocyanophenyl]phenyl]-3-isocyanocarbazole
CID 155603778
2-(3-carbazol-9-yl-5-cyanophenyl)-5-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155604960
9-(3,5-diphenylphenyl)carbazole
CID 86068368
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 160721825
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590420

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole?
The IUPAC name of 9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole (CID 167403954) is 9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole.
What is the SMILES notation for 9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole?
The canonical SMILES for 9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole is [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole?
The InChIKey is WUIDYZZLGRFDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-44-32-23-24-43-38(28-32)37-18-8-10-20-40(37)45(43)33-26-30(29-13-3-2-4-14-29)25-31(27-33)34-15-5-9-19-39(34)46-41-21-11-6-16-35(41)36-17-7-12-22-42(36)46/h2-28H.
What are the key properties of 9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole?
9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole has a molecular weight of 585.71 g/mol, XLogP of 11.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole is sourced from PubChem (CID 167403954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).