9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole

C50H30N4 — CID 140825409

IUPAC9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(-c2ccccc2)cc1-c1cccc(-c2ccccc2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C50H30N4/c1-51-36-25-28-48-43(31-36)44-32-37(52-2)26-29-49(44)53(48)47-27-24-35(33-14-5-3-6-15-33)30-42(47)41-21-13-20-38(34-16-7-4-8-17-34)50(41)54-45-22-11-9-18-39(45)40-19-10-12-23-46(40)54/h3-32H
InChIKeyMZGQBWIOPZHUAZ-UHFFFAOYSA-N
MW686.82 g/mol
LogP13.98
Rot. Bonds5

About 9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole

9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole (PubChem CID 140825409) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole.

Molecular Properties

Compound Name9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole
PubChem CID140825409
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(-c2ccccc2)cc1-c1cccc(-c2ccccc2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C50H30N4/c1-51-36-25-28-48-43(31-36)44-32-37(52-2)26-29-49(44)53(48)47-27-24-35(33-14-5-3-6-15-33)30-42(47)41-21-13-20-38(34-16-7-4-8-17-34)50(41)54-45-22-11-9-18-39(45)40-19-10-12-23-46(40)54/h3-32H
InChIKeyMZGQBWIOPZHUAZ-UHFFFAOYSA-N
XLogP13.98
TPSA18.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 513.98
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

9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
CID 159275273
9-[2-(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-isocyanocarbazole
CID 155761350
9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole
CID 167403954
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-isocyanophenyl]carbazole
CID 170664788
9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole
CID 140822457
3-[9-(4-isocyano-2,6-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158455091
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
9-[2-[2-carbazol-9-yl-3-(3-isocyanophenyl)phenyl]phenyl]carbazole;2-[3-(2-carbazol-9-ylphenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)-6-cyanophenyl]carbazole-3-carbonitrile;9-[2-[3-(2-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 157352545
3-carbazol-9-yl-9-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 162702859
3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole
CID 157464609
3-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-isocyanocarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diisocyanocarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-isocyanocarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-isocyano-6-phenylcarbazole
CID 159299447
9-[2,3-di(carbazol-9-yl)-4-(3,5-diisocyanophenyl)phenyl]carbazole
CID 140793787

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole?
The IUPAC name of 9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole (CID 140825409) is 9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole.
What is the SMILES notation for 9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole?
The canonical SMILES for 9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole is [C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(-c2ccccc2)cc1-c1cccc(-c2ccccc2)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole?
The InChIKey is MZGQBWIOPZHUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-51-36-25-28-48-43(31-36)44-32-37(52-2)26-29-49(44)53(48)47-27-24-35(33-14-5-3-6-15-33)30-42(47)41-21-13-20-38(34-16-7-4-8-17-34)50(41)54-45-22-11-9-18-39(45)40-19-10-12-23-46(40)54/h3-32H.
What are the key properties of 9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole?
9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole has a molecular weight of 686.82 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole is sourced from PubChem (CID 140825409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).