3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile

C80H48N6 — CID 135264739

IUPAC3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4cccc5c6cc(-c7ccc8c9ccccc9n(-c9ccc(-c%10cccc(C#N)c%10)cc9)c8c7)ccc6n(-c6ccccc6)c45)cc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)cc1
InChIInChI=1S/C80H48N6/c81-49-51-25-34-62(35-26-51)85-76-42-33-59(46-71(76)68-39-30-58(48-79(68)85)55-31-40-75-70(44-55)66-20-8-10-24-74(66)83(75)60-15-3-1-4-16-60)64-21-12-22-69-72-45-56(32-41-77(72)86(80(64)69)61-17-5-2-6-18-61)57-29-38-67-65-19-7-9-23-73(65)84(78(67)47-57)63-36-27-53(28-37-63)54-14-11-13-52(43-54)50-82/h1-48H
InChIKeyJVISZUXLGWYJKD-UHFFFAOYSA-N
MW1093.31 g/mol
LogP20.49
Rot. Bonds8

About 3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile

3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile (PubChem CID 135264739) has the molecular formula C80H48N6 and a molecular weight of 1093.31 g/mol. Its IUPAC name is 3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
PubChem CID135264739
Molecular FormulaC80H48N6
Molecular Weight1093.31 g/mol
Exact Mass1092.39
IUPAC Name3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4cccc5c6cc(-c7ccc8c9ccccc9n(-c9ccc(-c%10cccc(C#N)c%10)cc9)c8c7)ccc6n(-c6ccccc6)c45)cc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)cc1
InChIInChI=1S/C80H48N6/c81-49-51-25-34-62(35-26-51)85-76-42-33-59(46-71(76)68-39-30-58(48-79(68)85)55-31-40-75-70(44-55)66-20-8-10-24-74(66)83(75)60-15-3-1-4-16-60)64-21-12-22-69-72-45-56(32-41-77(72)86(80(64)69)61-17-5-2-6-18-61)57-29-38-67-65-19-7-9-23-73(65)84(78(67)47-57)63-36-27-53(28-37-63)54-14-11-13-52(43-54)50-82/h1-48H
InChIKeyJVISZUXLGWYJKD-UHFFFAOYSA-N
XLogP20.49
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.31
LogP ≤ 520.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
The IUPAC name of 3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile (CID 135264739) is 3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile.
What is the SMILES notation for 3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
The canonical SMILES for 3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile is N#Cc1ccc(-n2c3ccc(-c4cccc5c6cc(-c7ccc8c9ccccc9n(-c9ccc(-c%10cccc(C#N)c%10)cc9)c8c7)ccc6n(-c6ccccc6)c45)cc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)cc1.
What is the InChIKey of 3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
The InChIKey is JVISZUXLGWYJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H48N6/c81-49-51-25-34-62(35-26-51)85-76-42-33-59(46-71(76)68-39-30-58(48-79(68)85)55-31-40-75-70(44-55)66-20-8-10-24-74(66)83(75)60-15-3-1-4-16-60)64-21-12-22-69-72-45-56(32-41-77(72)86(80(64)69)61-17-5-2-6-18-61)57-29-38-67-65-19-7-9-23-73(65)84(78(67)47-57)63-36-27-53(28-37-63)54-14-11-13-52(43-54)50-82/h1-48H.
What are the key properties of 3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile has a molecular weight of 1093.31 g/mol, XLogP of 20.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[8-[9-(4-cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile is sourced from PubChem (CID 135264739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).