2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile

C146H90N12 — CID 134302072

IUPAC2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile
SMILESCc1cc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c(C#N)c(-n3c4ccc(-c5cccc6c5c5ccccc5n6-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)ccc5n6-c5cc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)c5C#N)cc4c4ccc(-c5ccccc5)cc43)c2)cc(C)n1
InChIInChI=1S/C146H90N12/c1-89-72-98(73-90(2)149-89)100-79-144(157-132-55-29-21-46-113(132)114-65-58-95(77-140(114)157)91-32-7-3-8-33-91)123(88-148)145(80-100)158-134-67-60-97(74-117(134)115-66-59-96(78-141(115)158)92-34-9-4-10-35-92)106-48-31-57-139-146(106)116-47-22-30-56-133(116)154(139)105-64-71-138-121(86-105)120-85-104(153-130-53-27-19-44-111(130)112-45-20-28-54-131(112)153)63-70-137(120)156(138)143-82-101(99-75-124(93-36-11-5-12-37-93)150-125(76-99)94-38-13-6-14-39-94)81-142(122(143)87-147)155-135-68-61-102(151-126-49-23-15-40-107(126)108-41-16-24-50-127(108)151)83-118(135)119-84-103(62-69-136(119)155)152-128-51-25-17-42-109(128)110-43-18-26-52-129(110)152/h3-86H,1-2H3
InChIKeyGGQLYKXGMJKRPK-UHFFFAOYSA-N
MW2012.41 g/mol
LogP37.28
Rot. Bonds15

About 2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile

2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile (PubChem CID 134302072) has the molecular formula C146H90N12 and a molecular weight of 2012.41 g/mol. Its IUPAC name is 2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile
PubChem CID134302072
Molecular FormulaC146H90N12
Molecular Weight2012.41 g/mol
Exact Mass2010.74
IUPAC Name2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile
SMILESCc1cc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c(C#N)c(-n3c4ccc(-c5cccc6c5c5ccccc5n6-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)ccc5n6-c5cc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)c5C#N)cc4c4ccc(-c5ccccc5)cc43)c2)cc(C)n1
InChIInChI=1S/C146H90N12/c1-89-72-98(73-90(2)149-89)100-79-144(157-132-55-29-21-46-113(132)114-65-58-95(77-140(114)157)91-32-7-3-8-33-91)123(88-148)145(80-100)158-134-67-60-97(74-117(134)115-66-59-96(78-141(115)158)92-34-9-4-10-35-92)106-48-31-57-139-146(106)116-47-22-30-56-133(116)154(139)105-64-71-138-121(86-105)120-85-104(153-130-53-27-19-44-111(130)112-45-20-28-54-131(112)153)63-70-137(120)156(138)143-82-101(99-75-124(93-36-11-5-12-37-93)150-125(76-99)94-38-13-6-14-39-94)81-142(122(143)87-147)155-135-68-61-102(151-126-49-23-15-40-107(126)108-41-16-24-50-127(108)151)83-118(135)119-84-103(62-69-136(119)155)152-128-51-25-17-42-109(128)110-43-18-26-52-129(110)152/h3-86H,1-2H3
InChIKeyGGQLYKXGMJKRPK-UHFFFAOYSA-N
XLogP37.28
TPSA112.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002012.41
LogP ≤ 537.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile with MolForge

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Related Compounds

2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134302051
3-[2-[3-(3-carbazol-9-ylphenyl)-6-[3-[4-[3-[3-[9-[4-(3-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-6-phenylcarbazol-9-yl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 135264731
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-phenyl-3-[9-phenyl-7-[4-[6-phenyl-2-[3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 155039415
2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 157082857
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216720
3,9-diphenyl-6-[2-(9-phenylcarbazol-2-yl)-5-[4-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]carbazol-9-yl]phenyl]carbazol-9-yl]carbazole
CID 137420817
3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216709
6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 134590951
1-[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-9-(3-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160502757
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
2-[3-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149380

Frequently Asked Questions

What is the IUPAC name of 2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile?
The IUPAC name of 2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile (CID 134302072) is 2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile.
What is the SMILES notation for 2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile?
The canonical SMILES for 2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile is Cc1cc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c(C#N)c(-n3c4ccc(-c5cccc6c5c5ccccc5n6-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)ccc5n6-c5cc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)c5C#N)cc4c4ccc(-c5ccccc5)cc43)c2)cc(C)n1.
What is the InChIKey of 2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile?
The InChIKey is GGQLYKXGMJKRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C146H90N12/c1-89-72-98(73-90(2)149-89)100-79-144(157-132-55-29-21-46-113(132)114-65-58-95(77-140(114)157)91-32-7-3-8-33-91)123(88-148)145(80-100)158-134-67-60-97(74-117(134)115-66-59-96(78-141(115)158)92-34-9-4-10-35-92)106-48-31-57-139-146(106)116-47-22-30-56-133(116)154(139)105-64-71-138-121(86-105)120-85-104(153-130-53-27-19-44-111(130)112-45-20-28-54-131(112)153)63-70-137(120)156(138)143-82-101(99-75-124(93-36-11-5-12-37-93)150-125(76-99)94-38-13-6-14-39-94)81-142(122(143)87-147)155-135-68-61-102(151-126-49-23-15-40-107(126)108-41-16-24-50-127(108)151)83-118(135)119-84-103(62-69-136(119)155)152-128-51-25-17-42-109(128)110-43-18-26-52-129(110)152/h3-86H,1-2H3.
What are the key properties of 2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile?
2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile has a molecular weight of 2012.41 g/mol, XLogP of 37.28, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile is sourced from PubChem (CID 134302072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).