4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile

C136H76N14 — CID 166855916

IUPAC4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(C#N)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4c(C#N)c(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)c(C#N)c(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C136H76N14/c137-77-104-128(149-119-64-32-19-51-97(119)103-75-102-96-50-16-21-53-108(96)142(125(102)76-126(103)149)84-37-5-2-6-38-84)105(78-138)132(135(147-113-58-26-11-43-89(113)90-44-12-27-59-114(90)147)131(104)143-109-54-22-7-39-85(109)86-40-8-23-55-110(86)143)145-117-62-30-17-48-94(117)100-73-81(67-70-122(100)145)82-68-71-123-101(74-82)95-49-18-31-63-118(95)146(123)134-107(80-140)129(150-120-65-33-15-47-93(120)98-69-72-124-127(130(98)150)99-52-20-34-66-121(99)141(124)83-35-3-1-4-36-83)106(79-139)133(144-111-56-24-9-41-87(111)88-42-10-25-57-112(88)144)136(134)148-115-60-28-13-45-91(115)92-46-14-29-61-116(92)148/h1-76H
InChIKeyJLOGVJNTIPYWPN-UHFFFAOYSA-N
MW1906.20 g/mol
LogP33.81
Rot. Bonds11

About 4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile

4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile (PubChem CID 166855916) has the molecular formula C136H76N14 and a molecular weight of 1906.20 g/mol. Its IUPAC name is 4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
PubChem CID166855916
Molecular FormulaC136H76N14
Molecular Weight1906.20 g/mol
Exact Mass1904.64
IUPAC Name4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(C#N)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4c(C#N)c(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)c(C#N)c(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C136H76N14/c137-77-104-128(149-119-64-32-19-51-97(119)103-75-102-96-50-16-21-53-108(96)142(125(102)76-126(103)149)84-37-5-2-6-38-84)105(78-138)132(135(147-113-58-26-11-43-89(113)90-44-12-27-59-114(90)147)131(104)143-109-54-22-7-39-85(109)86-40-8-23-55-110(86)143)145-117-62-30-17-48-94(117)100-73-81(67-70-122(100)145)82-68-71-123-101(74-82)95-49-18-31-63-118(95)146(123)134-107(80-140)129(150-120-65-33-15-47-93(120)98-69-72-124-127(130(98)150)99-52-20-34-66-121(99)141(124)83-35-3-1-4-36-83)106(79-139)133(144-111-56-24-9-41-87(111)88-42-10-25-57-112(88)144)136(134)148-115-60-28-13-45-91(115)92-46-14-29-61-116(92)148/h1-76H
InChIKeyJLOGVJNTIPYWPN-UHFFFAOYSA-N
XLogP33.81
TPSA144.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001906.20
LogP ≤ 533.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

2,4,5-tri(carbazol-9-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166855757
2,4,5-tri(carbazol-9-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166856107
5-(4-tert-butylphenyl)-4,6-di(carbazol-9-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 146562377
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)-2,6-diphenylpyrimidine-5-carbonitrile
CID 163455194
4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050483
2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 137368903
5-(5-cyano-2,6-diphenylpyrimidin-4-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 170253873
2-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163600124
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
2,5-di(carbazol-9-yl)-6-isocyano-3,4-bis(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile;4,5-di(carbazol-9-yl)-2-isocyano-3,6-bis(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 163788156
2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316

Frequently Asked Questions

What is the IUPAC name of 4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile (CID 166855916) is 4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile is N#Cc1c(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(C#N)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4c(C#N)c(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)c(C#N)c(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The InChIKey is JLOGVJNTIPYWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H76N14/c137-77-104-128(149-119-64-32-19-51-97(119)103-75-102-96-50-16-21-53-108(96)142(125(102)76-126(103)149)84-37-5-2-6-38-84)105(78-138)132(135(147-113-58-26-11-43-89(113)90-44-12-27-59-114(90)147)131(104)143-109-54-22-7-39-85(109)86-40-8-23-55-110(86)143)145-117-62-30-17-48-94(117)100-73-81(67-70-122(100)145)82-68-71-123-101(74-82)95-49-18-31-63-118(95)146(123)134-107(80-140)129(150-120-65-33-15-47-93(120)98-69-72-124-127(130(98)150)99-52-20-34-66-121(99)141(124)83-35-3-1-4-36-83)106(79-139)133(144-111-56-24-9-41-87(111)88-42-10-25-57-112(88)144)136(134)148-115-60-28-13-45-91(115)92-46-14-29-61-116(92)148/h1-76H.
What are the key properties of 4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile?
4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile has a molecular weight of 1906.20 g/mol, XLogP of 33.81, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 166855916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).