2,5-bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile

C92H54N8 — CID 121328579

IUPAC2,5-bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c(C#N)cc1-n1c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C92H54N8/c93-55-61-50-86(100-84-44-40-58(60-38-42-72-68-30-14-18-34-80(68)96(88(72)48-60)64-23-7-2-8-24-64)46-74(84)78-54-90-76(52-92(78)100)70-32-16-20-36-82(70)98(90)66-27-11-4-12-28-66)62(56-94)49-85(61)99-83-43-39-57(59-37-41-71-67-29-13-17-33-79(67)95(87(71)47-59)63-21-5-1-6-22-63)45-73(83)77-53-89-75(51-91(77)99)69-31-15-19-35-81(69)97(89)65-25-9-3-10-26-65/h1-54H
InChIKeyCEYKNVZKDBUECR-UHFFFAOYSA-N
MW1271.50 g/mol
LogP23.35
Rot. Bonds8

About 2,5-bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile

2,5-bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile (PubChem CID 121328579) has the molecular formula C92H54N8 and a molecular weight of 1271.50 g/mol. Its IUPAC name is 2,5-bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,5-bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
PubChem CID121328579
Molecular FormulaC92H54N8
Molecular Weight1271.50 g/mol
Exact Mass1270.45
IUPAC Name2,5-bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c(C#N)cc1-n1c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C92H54N8/c93-55-61-50-86(100-84-44-40-58(60-38-42-72-68-30-14-18-34-80(68)96(88(72)48-60)64-23-7-2-8-24-64)46-74(84)78-54-90-76(52-92(78)100)70-32-16-20-36-82(70)98(90)66-27-11-4-12-28-66)62(56-94)49-85(61)99-83-43-39-57(59-37-41-71-67-29-13-17-33-79(67)95(87(71)47-59)63-21-5-1-6-22-63)45-73(83)77-53-89-75(51-91(77)99)69-31-15-19-35-81(69)97(89)65-25-9-3-10-26-65/h1-54H
InChIKeyCEYKNVZKDBUECR-UHFFFAOYSA-N
XLogP23.35
TPSA77.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001271.50
LogP ≤ 523.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2,5-bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile (CID 121328579) is 2,5-bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,5-bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2,5-bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile is N#Cc1cc(-n2c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c(C#N)cc1-n1c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1.
What is the InChIKey of 2,5-bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile?
The InChIKey is CEYKNVZKDBUECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H54N8/c93-55-61-50-86(100-84-44-40-58(60-38-42-72-68-30-14-18-34-80(68)96(88(72)48-60)64-23-7-2-8-24-64)46-74(84)78-54-90-76(52-92(78)100)70-32-16-20-36-82(70)98(90)66-27-11-4-12-28-66)62(56-94)49-85(61)99-83-43-39-57(59-37-41-71-67-29-13-17-33-79(67)95(87(71)47-59)63-21-5-1-6-22-63)45-73(83)77-53-89-75(51-91(77)99)69-31-15-19-35-81(69)97(89)65-25-9-3-10-26-65/h1-54H.
What are the key properties of 2,5-bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile?
2,5-bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile has a molecular weight of 1271.50 g/mol, XLogP of 23.35, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 121328579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).