2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile

C126H74N20 — CID 169035747

IUPAC2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5C#N)cc4)nc(-c4ccc(-c5cccc(C#N)c5)cc4-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)n3)c(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)c1
InChIInChI=1S/C126H74N20/c127-75-78-29-27-48-90(67-78)92-55-61-100(110(73-92)145-106-63-57-94(121-134-112(81-31-9-1-10-32-81)130-113(135-121)82-33-11-2-12-34-82)69-102(106)103-70-95(58-64-107(103)145)122-136-114(83-35-13-3-14-36-83)131-115(137-122)84-37-15-4-16-38-84)125-142-120(89-53-51-80(52-54-89)99-50-26-25-47-98(99)77-129)143-126(144-125)101-62-56-93(91-49-28-30-79(68-91)76-128)74-111(101)146-108-65-59-96(123-138-116(85-39-17-5-18-40-85)132-117(139-123)86-41-19-6-20-42-86)71-104(108)105-72-97(60-66-109(105)146)124-140-118(87-43-21-7-22-44-87)133-119(141-124)88-45-23-8-24-46-88/h1-74H
InChIKeyGZRIDPDXMLUIFY-UHFFFAOYSA-N
MW1868.12 g/mol
LogP28.43
Rot. Bonds20

About 2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile

2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile (PubChem CID 169035747) has the molecular formula C126H74N20 and a molecular weight of 1868.12 g/mol. Its IUPAC name is 2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
PubChem CID169035747
Molecular FormulaC126H74N20
Molecular Weight1868.12 g/mol
Exact Mass1866.64
IUPAC Name2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5C#N)cc4)nc(-c4ccc(-c5cccc(C#N)c5)cc4-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)n3)c(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)c1
InChIInChI=1S/C126H74N20/c127-75-78-29-27-48-90(67-78)92-55-61-100(110(73-92)145-106-63-57-94(121-134-112(81-31-9-1-10-32-81)130-113(135-121)82-33-11-2-12-34-82)69-102(106)103-70-95(58-64-107(103)145)122-136-114(83-35-13-3-14-36-83)131-115(137-122)84-37-15-4-16-38-84)125-142-120(89-53-51-80(52-54-89)99-50-26-25-47-98(99)77-129)143-126(144-125)101-62-56-93(91-49-28-30-79(68-91)76-128)74-111(101)146-108-65-59-96(123-138-116(85-39-17-5-18-40-85)132-117(139-123)86-41-19-6-20-42-86)71-104(108)105-72-97(60-66-109(105)146)124-140-118(87-43-21-7-22-44-87)133-119(141-124)88-45-23-8-24-46-88/h1-74H
InChIKeyGZRIDPDXMLUIFY-UHFFFAOYSA-N
XLogP28.43
TPSA274.58 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001868.12
LogP ≤ 528.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile 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

3-[3-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035495
3-[3-[4,6-bis[4-(3-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 155588470
3-[3-[4,6-bis[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035606
3-[3-[4,6-bis[4-(3-cyanophenyl)-3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 162681285
3-[2-[4,6-bis[4-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134360
3-[3-(3-cyanophenyl)carbazol-9-yl]-4-[2-[3-(3-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003306
4-[4-[4,6-bis[4-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134170
2-[6-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-3-yl]benzonitrile
CID 138549616
3-[4-[4-[2-(3-cyanophenyl)phenyl]-6-[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 170133983
4-[3-[4,6-bis[4-(4-cyanophenyl)-3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 163984936
2-[4-[4-[3-(3-cyanophenyl)phenyl]-6-[3-(3,6-diphenylcarbazol-9-yl)-4-(2-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-2-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 169035740
2-[4-[4-[5-(3-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[2-(3,6-diphenylcarbazol-9-yl)-5-(3-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035532

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile (CID 169035747) is 2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile is N#Cc1cccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5C#N)cc4)nc(-c4ccc(-c5cccc(C#N)c5)cc4-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)n3)c(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)c1.
What is the InChIKey of 2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The InChIKey is GZRIDPDXMLUIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H74N20/c127-75-78-29-27-48-90(67-78)92-55-61-100(110(73-92)145-106-63-57-94(121-134-112(81-31-9-1-10-32-81)130-113(135-121)82-33-11-2-12-34-82)69-102(106)103-70-95(58-64-107(103)145)122-136-114(83-35-13-3-14-36-83)131-115(137-122)84-37-15-4-16-38-84)125-142-120(89-53-51-80(52-54-89)99-50-26-25-47-98(99)77-129)143-126(144-125)101-62-56-93(91-49-28-30-79(68-91)76-128)74-111(101)146-108-65-59-96(123-138-116(85-39-17-5-18-40-85)132-117(139-123)86-41-19-6-20-42-86)71-104(108)105-72-97(60-66-109(105)146)124-140-118(87-43-21-7-22-44-87)133-119(141-124)88-45-23-8-24-46-88/h1-74H.
What are the key properties of 2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile has a molecular weight of 1868.12 g/mol, XLogP of 28.43, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile is sourced from PubChem (CID 169035747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).