9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole

C102H67N7 — CID 150396921

IUPAC9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2ccccc2-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)nc1-n1c2ccccc2c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21
InChIInChI=1S/C102H67N7/c1-64-41-53-97-83(57-64)84-58-65(2)42-54-98(84)108(97)101-87(76-28-10-9-27-75(76)72-61-88(68-23-5-3-6-24-68)103-89(62-72)69-25-7-4-8-26-69)63-100(107-94-39-21-15-33-81(94)85-59-70(47-55-96(85)107)66-43-49-73(50-44-66)105-90-35-17-11-29-77(90)78-30-12-18-36-91(78)105)104-102(101)109-95-40-22-16-34-82(95)86-60-71(48-56-99(86)109)67-45-51-74(52-46-67)106-92-37-19-13-31-79(92)80-32-14-20-38-93(80)106/h3-63H,1-2H3
InChIKeyHCXZXNUMUHEEJS-UHFFFAOYSA-N
MW1390.71 g/mol
LogP26.58
Rot. Bonds11

About 9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole

9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole (PubChem CID 150396921) has the molecular formula C102H67N7 and a molecular weight of 1390.71 g/mol. Its IUPAC name is 9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole
PubChem CID150396921
Molecular FormulaC102H67N7
Molecular Weight1390.71 g/mol
Exact Mass1389.55
IUPAC Name9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2ccccc2-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)nc1-n1c2ccccc2c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21
InChIInChI=1S/C102H67N7/c1-64-41-53-97-83(57-64)84-58-65(2)42-54-98(84)108(97)101-87(76-28-10-9-27-75(76)72-61-88(68-23-5-3-6-24-68)103-89(62-72)69-25-7-4-8-26-69)63-100(107-94-39-21-15-33-81(94)85-59-70(47-55-96(85)107)66-43-49-73(50-44-66)105-90-35-17-11-29-77(90)78-30-12-18-36-91(78)105)104-102(101)109-95-40-22-16-34-82(95)86-60-71(48-56-99(86)109)67-45-51-74(52-46-67)106-92-37-19-13-31-79(92)80-32-14-20-38-93(80)106/h3-63H,1-2H3
InChIKeyHCXZXNUMUHEEJS-UHFFFAOYSA-N
XLogP26.58
TPSA50.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001390.71
LogP ≤ 526.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole
CID 170534028
3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole
CID 146512463
3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71286800
9-[3,5-bis(4,6-diphenylpyrimidin-2-yl)-4-(3-methylcarbazol-9-yl)phenyl]-2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazole
CID 137369176
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 71286941
9-(4,6-diphenyl-2-pyridinyl)-3-methylcarbazole;ethane
CID 144875865
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730006
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 158567495
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole (CID 150396921) is 9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2ccccc2-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)nc1-n1c2ccccc2c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc21.
What is the InChIKey of 9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole?
The InChIKey is HCXZXNUMUHEEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H67N7/c1-64-41-53-97-83(57-64)84-58-65(2)42-54-98(84)108(97)101-87(76-28-10-9-27-75(76)72-61-88(68-23-5-3-6-24-68)103-89(62-72)69-25-7-4-8-26-69)63-100(107-94-39-21-15-33-81(94)85-59-70(47-55-96(85)107)66-43-49-73(50-44-66)105-90-35-17-11-29-77(90)78-30-12-18-36-91(78)105)104-102(101)109-95-40-22-16-34-82(95)86-60-71(48-56-99(86)109)67-45-51-74(52-46-67)106-92-37-19-13-31-79(92)80-32-14-20-38-93(80)106/h3-63H,1-2H3.
What are the key properties of 9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole?
9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole has a molecular weight of 1390.71 g/mol, XLogP of 26.58, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 150396921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).