2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile

C134H85N13 — CID 170134661

IUPAC2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3ccc(N(c4ccccc4)c4ccc5c(c4)c4c6ccccc6ccc4n5-c4c(C#N)ccc(C#N)c4-n4c5ccccc5c5ccccc54)cc3)ccc1n2-c1c(C#N)ccc(C#N)c1-n1c2ccccc2c2c3ccc(-c4cccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5c(C#N)ccc(C#N)c5-n5c6ccccc6c6ccccc65)c4)cc3ccc21
InChIInChI=1S/C134H85N13/c1-133(2,3)95-55-65-117-108(71-95)109-72-96(134(4,5)74-81-42-57-98(58-43-81)141(97-28-7-6-8-29-97)99-59-67-120-111(73-99)126-101-31-12-10-25-83(101)52-63-123(126)147(120)132-94(80-140)49-45-90(76-136)128(132)143-114-39-20-15-34-105(114)106-35-16-21-40-115(106)143)56-66-118(109)144(117)129-91(77-137)46-47-92(78-138)130(129)145-116-41-22-17-36-107(116)124-102-60-50-86(69-88(102)54-64-121(124)145)84-26-23-27-85(68-84)87-53-61-119-110(70-87)125-100-30-11-9-24-82(100)51-62-122(125)146(119)131-93(79-139)48-44-89(75-135)127(131)142-112-37-18-13-32-103(112)104-33-14-19-38-113(104)142/h6-73H,74H2,1-5H3
InChIKeyPJEGUNOONBBMPN-UHFFFAOYSA-N
MW1877.24 g/mol
LogP33.58
Rot. Bonds14

About 2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile

2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile (PubChem CID 170134661) has the molecular formula C134H85N13 and a molecular weight of 1877.24 g/mol. Its IUPAC name is 2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
PubChem CID170134661
Molecular FormulaC134H85N13
Molecular Weight1877.24 g/mol
Exact Mass1875.71
IUPAC Name2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3ccc(N(c4ccccc4)c4ccc5c(c4)c4c6ccccc6ccc4n5-c4c(C#N)ccc(C#N)c4-n4c5ccccc5c5ccccc54)cc3)ccc1n2-c1c(C#N)ccc(C#N)c1-n1c2ccccc2c2c3ccc(-c4cccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5c(C#N)ccc(C#N)c5-n5c6ccccc6c6ccccc65)c4)cc3ccc21
InChIInChI=1S/C134H85N13/c1-133(2,3)95-55-65-117-108(71-95)109-72-96(134(4,5)74-81-42-57-98(58-43-81)141(97-28-7-6-8-29-97)99-59-67-120-111(73-99)126-101-31-12-10-25-83(101)52-63-123(126)147(120)132-94(80-140)49-45-90(76-136)128(132)143-114-39-20-15-34-105(114)106-35-16-21-40-115(106)143)56-66-118(109)144(117)129-91(77-137)46-47-92(78-138)130(129)145-116-41-22-17-36-107(116)124-102-60-50-86(69-88(102)54-64-121(124)145)84-26-23-27-85(68-84)87-53-61-119-110(70-87)125-100-30-11-9-24-82(100)51-62-122(125)146(119)131-93(79-139)48-44-89(75-135)127(131)142-112-37-18-13-32-103(112)104-33-14-19-38-113(104)142/h6-73H,74H2,1-5H3
InChIKeyPJEGUNOONBBMPN-UHFFFAOYSA-N
XLogP33.58
TPSA175.56 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001877.24
LogP ≤ 533.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile with MolForge

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Related Compounds

2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 121328605
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121324500
2-benzo[c]carbazol-7-yl-3-[3-[7-(5-benzo[c]carbazol-7-yl-2,4-dicyanophenyl)benzo[c]carbazol-10-yl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 155449841
3-carbazol-9-yl-4-methyl-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 121307289
3-benzo[c]carbazol-7-yl-2-(3,6-ditert-butylcarbazol-9-yl)-4-isocyanobenzonitrile
CID 153462667
4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121307484
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 121328730
4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-3-[3-[7-(2-carbazol-9-yl-3,4-dicyanophenyl)benzo[c]carbazol-3-yl]carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 155450666
2-benzo[c]carbazol-7-yl-5-[10-[4-(2-phenylpropan-2-yl)phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 155417153
9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine
CID 58827498
N-phenyl-4-(7-phenylbenzo[c]carbazol-10-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 130265731
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CID 138468062

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile (CID 170134661) is 2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3ccc(N(c4ccccc4)c4ccc5c(c4)c4c6ccccc6ccc4n5-c4c(C#N)ccc(C#N)c4-n4c5ccccc5c5ccccc54)cc3)ccc1n2-c1c(C#N)ccc(C#N)c1-n1c2ccccc2c2c3ccc(-c4cccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5c(C#N)ccc(C#N)c5-n5c6ccccc6c6ccccc65)c4)cc3ccc21.
What is the InChIKey of 2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile?
The InChIKey is PJEGUNOONBBMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C134H85N13/c1-133(2,3)95-55-65-117-108(71-95)109-72-96(134(4,5)74-81-42-57-98(58-43-81)141(97-28-7-6-8-29-97)99-59-67-120-111(73-99)126-101-31-12-10-25-83(101)52-63-123(126)147(120)132-94(80-140)49-45-90(76-136)128(132)143-114-39-20-15-34-105(114)106-35-16-21-40-115(106)143)56-66-118(109)144(117)129-91(77-137)46-47-92(78-138)130(129)145-116-41-22-17-36-107(116)124-102-60-50-86(69-88(102)54-64-121(124)145)84-26-23-27-85(68-84)87-53-61-119-110(70-87)125-100-30-11-9-24-82(100)51-62-122(125)146(119)131-93(79-139)48-44-89(75-135)127(131)142-112-37-18-13-32-103(112)104-33-14-19-38-113(104)142/h6-73H,74H2,1-5H3.
What are the key properties of 2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile?
2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile has a molecular weight of 1877.24 g/mol, XLogP of 33.58, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-6-[1-[4-(N-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]anilino)phenyl]-2-methylpropan-2-yl]carbazol-9-yl]-3-[3-[3-[7-(2-carbazol-9-yl-3,6-dicyanophenyl)benzo[c]carbazol-10-yl]phenyl]benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 170134661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).