3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole

C150H98N10 — CID 159521828

IUPAC3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c2)cc1.N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2)c1
InChIInChI=1S/C75H43N7.C75H55N3/c76-44-48-11-7-19-54(31-48)58-23-27-72-66(37-58)67-38-59(55-20-8-12-49(32-55)45-77)24-28-73(67)81(72)64-35-62(63-41-70(52-15-3-1-4-16-52)80-71(42-63)53-17-5-2-6-18-53)36-65(43-64)82-74-29-25-60(56-21-9-13-50(33-56)46-78)39-68(74)69-40-61(26-30-75(69)82)57-22-10-14-51(34-57)47-79;1-48-15-23-53(24-16-48)58-31-35-72-66(41-58)67-42-59(54-25-17-49(2)18-26-54)32-36-73(67)77(72)64-39-63(71-46-62(52-11-7-5-8-12-52)45-70(76-71)57-13-9-6-10-14-57)40-65(47-64)78-74-37-33-60(55-27-19-50(3)20-28-55)43-68(74)69-44-61(34-38-75(69)78)56-29-21-51(4)22-30-56/h1-43H;5-47H,1-4H3
InChIKeyMBWZNYCDXFTMHM-UHFFFAOYSA-N
MW2040.50 g/mol
LogP38.61
Rot. Bonds18

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

3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole (PubChem CID 159521828) has the molecular formula C150H98N10 and a molecular weight of 2040.50 g/mol. Its IUPAC name is 3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole
PubChem CID159521828
Molecular FormulaC150H98N10
Molecular Weight2040.50 g/mol
Exact Mass2038.80
IUPAC Name3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c2)cc1.N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2)c1
InChIInChI=1S/C75H43N7.C75H55N3/c76-44-48-11-7-19-54(31-48)58-23-27-72-66(37-58)67-38-59(55-20-8-12-49(32-55)45-77)24-28-73(67)81(72)64-35-62(63-41-70(52-15-3-1-4-16-52)80-71(42-63)53-17-5-2-6-18-53)36-65(43-64)82-74-29-25-60(56-21-9-13-50(33-56)46-78)39-68(74)69-40-61(26-30-75(69)82)57-22-10-14-51(34-57)47-79;1-48-15-23-53(24-16-48)58-31-35-72-66(41-58)67-42-59(54-25-17-49(2)18-26-54)32-36-73(67)77(72)64-39-63(71-46-62(52-11-7-5-8-12-52)45-70(76-71)57-13-9-6-10-14-57)40-65(47-64)78-74-37-33-60(55-27-19-50(3)20-28-55)43-68(74)69-44-61(34-38-75(69)78)56-29-21-51(4)22-30-56/h1-43H;5-47H,1-4H3
InChIKeyMBWZNYCDXFTMHM-UHFFFAOYSA-N
XLogP38.61
TPSA140.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002040.50
LogP ≤ 538.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole with MolForge

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Related Compounds

3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile
CID 67949347
3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile
CID 126610495
9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 126610498
3-[3-(3-cyanophenyl)-5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 155447455
9-[3-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 88530509
3-[2-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 90088595
3-[3-(2,6-diphenyl-4-pyridinyl)-5-(2-naphthalen-1-ylcarbazol-9-yl)phenyl]benzonitrile;3-[3-(2,6-diphenyl-4-pyridinyl)-5-(2-naphthalen-2-ylcarbazol-9-yl)phenyl]benzonitrile;3-[3-(2,6-diphenyl-4-pyridinyl)-5-[2-(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 159832743
3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 71286941
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6,9-diphenylcarbazole
CID 58943233
3-[4,6-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]benzonitrile
CID 118259301
3-[9-[2,6-bis(3-cyanophenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155446815
9-[3-[6-[3-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3,6-dimethylcarbazole;2-[3-(3,5-dimethylphenyl)phenyl]-6-phenyl-4-(4-phenylphenyl)pyridine;9-[3-[6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 159871891

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole?
The IUPAC name of 3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole (CID 159521828) is 3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole.
What is the SMILES notation for 3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole?
The canonical SMILES for 3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c2)cc1.N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2)c1.
What is the InChIKey of 3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole?
The InChIKey is MBWZNYCDXFTMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H43N7.C75H55N3/c76-44-48-11-7-19-54(31-48)58-23-27-72-66(37-58)67-38-59(55-20-8-12-49(32-55)45-77)24-28-73(67)81(72)64-35-62(63-41-70(52-15-3-1-4-16-52)80-71(42-63)53-17-5-2-6-18-53)36-65(43-64)82-74-29-25-60(56-21-9-13-50(33-56)46-78)39-68(74)69-40-61(26-30-75(69)82)57-22-10-14-51(34-57)47-79;1-48-15-23-53(24-16-48)58-31-35-72-66(41-58)67-42-59(54-25-17-49(2)18-26-54)32-36-73(67)77(72)64-39-63(71-46-62(52-11-7-5-8-12-52)45-70(76-71)57-13-9-6-10-14-57)40-65(47-64)78-74-37-33-60(55-27-19-50(3)20-28-55)43-68(74)69-44-61(34-38-75(69)78)56-29-21-51(4)22-30-56/h1-43H;5-47H,1-4H3.
What are the key properties of 3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole?
3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole has a molecular weight of 2040.50 g/mol, XLogP of 38.61, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole is sourced from PubChem (CID 159521828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).