9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole

C83H52N8 — CID 161477409

IUPAC9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
SMILES[C-]#[N+]c1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2c(C)cccc2[N+]#[C-])cc1-n1c2ccc(-c3cccnc3-c3ccccc3)cc2c2cc(-c3cccnc3-c3ccccc3)ccc21
InChIInChI=1S/C83H52N8/c1-53-21-16-34-71(84-2)79(53)70-51-78(91-75-41-37-60(64-32-19-45-88-82(64)56-26-12-6-13-27-56)49-68(75)69-50-61(38-42-76(69)91)65-33-20-46-89-83(65)57-28-14-7-15-29-57)72(85-3)52-77(70)90-73-39-35-58(62-30-17-43-86-80(62)54-22-8-4-9-23-54)47-66(73)67-48-59(36-40-74(67)90)63-31-18-44-87-81(63)55-24-10-5-11-25-55/h4-52H,1H3
InChIKeySMZINMOXJKRHPN-UHFFFAOYSA-N
MW1161.38 g/mol
LogP21.87
Rot. Bonds11

About 9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole

9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole (PubChem CID 161477409) has the molecular formula C83H52N8 and a molecular weight of 1161.38 g/mol. Its IUPAC name is 9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole.

Molecular Properties

Compound Name9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
PubChem CID161477409
Molecular FormulaC83H52N8
Molecular Weight1161.38 g/mol
Exact Mass1160.43
IUPAC Name9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
SMILES[C-]#[N+]c1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2c(C)cccc2[N+]#[C-])cc1-n1c2ccc(-c3cccnc3-c3ccccc3)cc2c2cc(-c3cccnc3-c3ccccc3)ccc21
InChIInChI=1S/C83H52N8/c1-53-21-16-34-71(84-2)79(53)70-51-78(91-75-41-37-60(64-32-19-45-88-82(64)56-26-12-6-13-27-56)49-68(75)69-50-61(38-42-76(69)91)65-33-20-46-89-83(65)57-28-14-7-15-29-57)72(85-3)52-77(70)90-73-39-35-58(62-30-17-43-86-80(62)54-22-8-4-9-23-54)47-66(73)67-48-59(36-40-74(67)90)63-31-18-44-87-81(63)55-24-10-5-11-25-55/h4-52H,1H3
InChIKeySMZINMOXJKRHPN-UHFFFAOYSA-N
XLogP21.87
TPSA70.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.38
LogP ≤ 521.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
CID 159423485
2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole
CID 161477407
9-[4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-5-(2-methylphenyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 160804288
9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
CID 155647003
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-isocyanophenyl]-9-(2-methylphenyl)carbazole
CID 165004301
9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 134296233
3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 153455511
9-[2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 160609754
9-[2-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-(2,4-dimethylphenyl)phenyl]-3-isocyanophenyl]-3,6-bis(2-methylphenyl)carbazole
CID 159953116
4-(2,3,4,5,6-pentafluorophenyl)-2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 154959931
9-[2-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]-3,6-bis(2-methylphenyl)carbazole
CID 159302498
9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 154603135

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole?
The IUPAC name of 9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole (CID 161477409) is 9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole.
What is the SMILES notation for 9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole?
The canonical SMILES for 9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole is [C-]#[N+]c1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2c(C)cccc2[N+]#[C-])cc1-n1c2ccc(-c3cccnc3-c3ccccc3)cc2c2cc(-c3cccnc3-c3ccccc3)ccc21.
What is the InChIKey of 9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole?
The InChIKey is SMZINMOXJKRHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H52N8/c1-53-21-16-34-71(84-2)79(53)70-51-78(91-75-41-37-60(64-32-19-45-88-82(64)56-26-12-6-13-27-56)49-68(75)69-50-61(38-42-76(69)91)65-33-20-46-89-83(65)57-28-14-7-15-29-57)72(85-3)52-77(70)90-73-39-35-58(62-30-17-43-86-80(62)54-22-8-4-9-23-54)47-66(73)67-48-59(36-40-74(67)90)63-31-18-44-87-81(63)55-24-10-5-11-25-55/h4-52H,1H3.
What are the key properties of 9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole?
9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole has a molecular weight of 1161.38 g/mol, XLogP of 21.87, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 161477409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).