4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

C80H50N8 — CID 146544317

IUPAC4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)ncc2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)cc1
InChIInChI=1S/C80H50N8/c81-46-52-21-23-53(24-22-52)70-45-80(88-77-43-60(64-31-39-73(84-49-64)56-17-9-3-10-18-56)27-35-68(77)69-36-28-61(44-78(69)88)65-32-40-74(85-50-65)57-19-11-4-12-20-57)86-51-79(70)87-75-41-58(62-29-37-71(82-47-62)54-13-5-1-6-14-54)25-33-66(75)67-34-26-59(42-76(67)87)63-30-38-72(83-48-63)55-15-7-2-8-16-55/h1-45,47-51H
InChIKeySMIWRFDKEXKVCU-UHFFFAOYSA-N
MW1123.34 g/mol
LogP19.73
Rot. Bonds11

About 4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146544317) has the molecular formula C80H50N8 and a molecular weight of 1123.34 g/mol. Its IUPAC name is 4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146544317
Molecular FormulaC80H50N8
Molecular Weight1123.34 g/mol
Exact Mass1122.42
IUPAC Name4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)ncc2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)cc1
InChIInChI=1S/C80H50N8/c81-46-52-21-23-53(24-22-52)70-45-80(88-77-43-60(64-31-39-73(84-49-64)56-17-9-3-10-18-56)27-35-68(77)69-36-28-61(44-78(69)88)65-32-40-74(85-50-65)57-19-11-4-12-20-57)86-51-79(70)87-75-41-58(62-29-37-71(82-47-62)54-13-5-1-6-14-54)25-33-66(75)67-34-26-59(42-76(67)87)63-30-38-72(83-48-63)55-15-7-2-8-16-55/h1-45,47-51H
InChIKeySMIWRFDKEXKVCU-UHFFFAOYSA-N
XLogP19.73
TPSA98.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001123.34
LogP ≤ 519.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543869
4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543732
2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile
CID 142452311
4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146543862
2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142465932
4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377806
3-[9-[5-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142452279
4-[2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546432
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159913359
4-[2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546458
2,6-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 142508590
4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427516

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146544317) is 4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is N#Cc1ccc(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)ncc2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)cc1.
What is the InChIKey of 4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is SMIWRFDKEXKVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50N8/c81-46-52-21-23-53(24-22-52)70-45-80(88-77-43-60(64-31-39-73(84-49-64)56-17-9-3-10-18-56)27-35-68(77)69-36-28-61(44-78(69)88)65-32-40-74(85-50-65)57-19-11-4-12-20-57)86-51-79(70)87-75-41-58(62-29-37-71(82-47-62)54-13-5-1-6-14-54)25-33-66(75)67-34-26-59(42-76(67)87)63-30-38-72(83-48-63)55-15-7-2-8-16-55/h1-45,47-51H.
What are the key properties of 4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 1123.34 g/mol, XLogP of 19.73, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146544317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).