2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile

C164H140N14 — CID 163779868

IUPAC2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3cc4c5ccccc5n(-c5cc(-c6cccnc6)cc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c5C#N)c4cc3-n3c4ccccc4c4ccccc43)ccc1n2-c1cc(-c2cccnc2)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)Cc4cc(C(C)(C)C)cc5c4c4ccc(C(C)(C)C)cc4n5-c4cc(-c5cccnc5)cc(-n5c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc65)c4C#N)ccc32)c1C#N
InChIInChI=1S/C164H140N14/c1-157(2,3)106-56-65-139-126(80-106)128-82-111(163(19,20)90-104-73-125-120-46-28-34-52-138(120)176(154(125)89-143(104)172-135-49-31-25-43-117(135)118-44-26-32-50-136(118)172)147-77-102(99-39-36-70-169-96-99)76-146(131(147)93-166)175-137-51-33-27-45-119(137)123-64-60-114(88-153(123)175)171-133-47-29-23-41-115(133)116-42-24-30-48-134(116)171)58-67-141(128)173(139)144-74-101(98-38-35-69-168-95-98)75-145(130(144)92-165)174-140-66-57-107(158(4,5)6)81-127(140)129-83-112(59-68-142(129)174)164(21,22)91-105-72-113(162(16,17)18)87-155-156(105)124-63-55-110(161(13,14)15)86-152(124)178(155)149-79-103(100-40-37-71-170-97-100)78-148(132(149)94-167)177-150-84-108(159(7,8)9)53-61-121(150)122-62-54-109(85-151(122)177)160(10,11)12/h23-89,95-97H,90-91H2,1-22H3
InChIKeyMNSNDAMPFPHANV-UHFFFAOYSA-N
MW2307.02 g/mol
LogP42.09
Rot. Bonds17

About 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile

2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile (PubChem CID 163779868) has the molecular formula C164H140N14 and a molecular weight of 2307.02 g/mol. Its IUPAC name is 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile.

Molecular Properties

Compound Name2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile
PubChem CID163779868
Molecular FormulaC164H140N14
Molecular Weight2307.02 g/mol
Exact Mass2305.14
IUPAC Name2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3cc4c5ccccc5n(-c5cc(-c6cccnc6)cc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c5C#N)c4cc3-n3c4ccccc4c4ccccc43)ccc1n2-c1cc(-c2cccnc2)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)Cc4cc(C(C)(C)C)cc5c4c4ccc(C(C)(C)C)cc4n5-c4cc(-c5cccnc5)cc(-n5c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc65)c4C#N)ccc32)c1C#N
InChIInChI=1S/C164H140N14/c1-157(2,3)106-56-65-139-126(80-106)128-82-111(163(19,20)90-104-73-125-120-46-28-34-52-138(120)176(154(125)89-143(104)172-135-49-31-25-43-117(135)118-44-26-32-50-136(118)172)147-77-102(99-39-36-70-169-96-99)76-146(131(147)93-166)175-137-51-33-27-45-119(137)123-64-60-114(88-153(123)175)171-133-47-29-23-41-115(133)116-42-24-30-48-134(116)171)58-67-141(128)173(139)144-74-101(98-38-35-69-168-95-98)75-145(130(144)92-165)174-140-66-57-107(158(4,5)6)81-127(140)129-83-112(59-68-142(129)174)164(21,22)91-105-72-113(162(16,17)18)87-155-156(105)124-63-55-110(161(13,14)15)86-152(124)178(155)149-79-103(100-40-37-71-170-97-100)78-148(132(149)94-167)177-150-84-108(159(7,8)9)53-61-121(150)122-62-54-109(85-151(122)177)160(10,11)12/h23-89,95-97H,90-91H2,1-22H3
InChIKeyMNSNDAMPFPHANV-UHFFFAOYSA-N
XLogP42.09
TPSA149.48 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002307.02
LogP ≤ 542.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[4-(2-carbazol-9-ylcarbazol-9-yl)-5-cyano-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-4-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 155217185
4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146544352
4-[3-tert-butyl-6-[1-[9-[9-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyano-4-pyridin-4-ylphenyl]carbazol-2-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292580
3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]-2,7-ditert-butylcarbazole
CID 162572242
3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-3-pyridinyl]-2,7-ditert-butylcarbazole
CID 162614863
2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292888
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole
CID 59357188
2,5-bis(3-tert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292536
2,6-bis(3-tert-butylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295573
2-(2-tert-butylcarbazol-9-yl)-4-[3-(2-tert-butylcarbazol-9-yl)-4-cyanophenyl]benzonitrile
CID 138736013
9-[3-(3-carbazol-9-ylphenyl)phenyl]-3-(2,2-dimethylpropyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]-3,6-dipyridin-3-ylcarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]carbazole;3-(2-methylbutan-2-yl)-9-[3-[3-[3-(2-methylbutan-2-yl)carbazol-9-yl]phenyl]phenyl]carbazole
CID 159983590
2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-(3,6-ditert-butylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 121328915

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile?
The IUPAC name of 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile (CID 163779868) is 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile.
What is the SMILES notation for 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile?
The canonical SMILES for 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3cc4c5ccccc5n(-c5cc(-c6cccnc6)cc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c5C#N)c4cc3-n3c4ccccc4c4ccccc43)ccc1n2-c1cc(-c2cccnc2)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)Cc4cc(C(C)(C)C)cc5c4c4ccc(C(C)(C)C)cc4n5-c4cc(-c5cccnc5)cc(-n5c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc65)c4C#N)ccc32)c1C#N.
What is the InChIKey of 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile?
The InChIKey is MNSNDAMPFPHANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C164H140N14/c1-157(2,3)106-56-65-139-126(80-106)128-82-111(163(19,20)90-104-73-125-120-46-28-34-52-138(120)176(154(125)89-143(104)172-135-49-31-25-43-117(135)118-44-26-32-50-136(118)172)147-77-102(99-39-36-70-169-96-99)76-146(131(147)93-166)175-137-51-33-27-45-119(137)123-64-60-114(88-153(123)175)171-133-47-29-23-41-115(133)116-42-24-30-48-134(116)171)58-67-141(128)173(139)144-74-101(98-38-35-69-168-95-98)75-145(130(144)92-165)174-140-66-57-107(158(4,5)6)81-127(140)129-83-112(59-68-142(129)174)164(21,22)91-105-72-113(162(16,17)18)87-155-156(105)124-63-55-110(161(13,14)15)86-152(124)178(155)149-79-103(100-40-37-71-170-97-100)78-148(132(149)94-167)177-150-84-108(159(7,8)9)53-61-121(150)122-62-54-109(85-151(122)177)160(10,11)12/h23-89,95-97H,90-91H2,1-22H3.
What are the key properties of 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile?
2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile has a molecular weight of 2307.02 g/mol, XLogP of 42.09, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[3-(2-carbazol-9-ylcarbazol-9-yl)-2-cyano-5-pyridin-3-ylphenyl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-6-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-3-(2,7-ditert-butylcarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-pyridin-3-ylbenzonitrile is sourced from PubChem (CID 163779868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).