2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile

C76H48N6 — CID 148945322

IUPAC2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)c2c(-c3ccccc3)n(-c3cccc(-c4cccc(-n5c(-c6ccccc6)c6c(-c7ccccc7)nc(C#N)c(-c7ccccc7)c6c5-c5ccccc5)c4)c3)c(-c3ccccc3)c2c1-c1ccccc1
InChIInChI=1S/C76H48N6/c77-49-63-65(51-27-9-1-10-28-51)67-69(71(79-63)53-31-13-3-14-32-53)75(57-39-21-7-22-40-57)81(73(67)55-35-17-5-18-36-55)61-45-25-43-59(47-61)60-44-26-46-62(48-60)82-74(56-37-19-6-20-38-56)68-66(52-29-11-2-12-30-52)64(50-78)80-72(54-33-15-4-16-34-54)70(68)76(82)58-41-23-8-24-42-58/h1-48H
InChIKeyPOUYLEGKKGZWDO-UHFFFAOYSA-N
MW1045.26 g/mol
LogP19.11
Rot. Bonds11

About 2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile

2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile (PubChem CID 148945322) has the molecular formula C76H48N6 and a molecular weight of 1045.26 g/mol. Its IUPAC name is 2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile
PubChem CID148945322
Molecular FormulaC76H48N6
Molecular Weight1045.26 g/mol
Exact Mass1044.39
IUPAC Name2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)c2c(-c3ccccc3)n(-c3cccc(-c4cccc(-n5c(-c6ccccc6)c6c(-c7ccccc7)nc(C#N)c(-c7ccccc7)c6c5-c5ccccc5)c4)c3)c(-c3ccccc3)c2c1-c1ccccc1
InChIInChI=1S/C76H48N6/c77-49-63-65(51-27-9-1-10-28-51)67-69(71(79-63)53-31-13-3-14-32-53)75(57-39-21-7-22-40-57)81(73(67)55-35-17-5-18-36-55)61-45-25-43-59(47-61)60-44-26-46-62(48-60)82-74(56-37-19-6-20-38-56)68-66(52-29-11-2-12-30-52)64(50-78)80-72(54-33-15-4-16-34-54)70(68)76(82)58-41-23-8-24-42-58/h1-48H
InChIKeyPOUYLEGKKGZWDO-UHFFFAOYSA-N
XLogP19.11
TPSA83.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.26
LogP ≤ 519.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile with MolForge

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Related Compounds

1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile
CID 13154154
2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile
CID 13016006
3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114
4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile
CID 13077761
2-[4-[4-(1,3,4,5,6,7-hexakis-phenylisoindol-2-yl)phenyl]phenyl]-1,3,4,5,6,7-hexakis-phenylisoindole
CID 58886989
11-[3-(3-carbazol-9-ylphenyl)phenyl]-12-phenylindolo[2,3-i]phenanthridine
CID 129123066
3-[4-[1,4-diphenyl-5-[4-(1,3,4,5-tetraphenylpyrrol-2-yl)phenyl]imidazol-2-yl]phenyl]-1,2-diphenylphenanthro[9,10-c]pyrrole
CID 152842671
16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile
CID 71131770
3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile
CID 140915776
3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile
CID 167336318
12-[4-(3-carbazol-9-ylphenyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122894
2-(3-carbazol-9-ylphenyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile
CID 162767490

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile?
The IUPAC name of 2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile (CID 148945322) is 2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile.
What is the SMILES notation for 2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile?
The canonical SMILES for 2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile is N#Cc1nc(-c2ccccc2)c2c(-c3ccccc3)n(-c3cccc(-c4cccc(-n5c(-c6ccccc6)c6c(-c7ccccc7)nc(C#N)c(-c7ccccc7)c6c5-c5ccccc5)c4)c3)c(-c3ccccc3)c2c1-c1ccccc1.
What is the InChIKey of 2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile?
The InChIKey is POUYLEGKKGZWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48N6/c77-49-63-65(51-27-9-1-10-28-51)67-69(71(79-63)53-31-13-3-14-32-53)75(57-39-21-7-22-40-57)81(73(67)55-35-17-5-18-36-55)61-45-25-43-59(47-61)60-44-26-46-62(48-60)82-74(56-37-19-6-20-38-56)68-66(52-29-11-2-12-30-52)64(50-78)80-72(54-33-15-4-16-34-54)70(68)76(82)58-41-23-8-24-42-58/h1-48H.
What are the key properties of 2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile?
2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile has a molecular weight of 1045.26 g/mol, XLogP of 19.11, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile is sourced from PubChem (CID 148945322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).