4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline

C147H107N5Si — CID 88917348

IUPAC4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline
SMILESCc1c(-c2ccccc2)cc(-c2cccc(-c3ccc([Si](c4cccc(-c5cccc(-c6cc(-c7ccccc7)c(C)c(-c7ccccc7)c6)c5)c4)(c4cccc(-c5cccc(-c6cc(-c7ccccc7)c(C)c(-c7ccccc7)c6)c5)c4)c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)c4cc(-c5ccc(N(c7ccccc7)c7ccccc7)cc5)ccc4n6-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2)cc1-c1ccccc1
InChIInChI=1S/C147H107N5Si/c1-98-131(103-41-16-6-17-42-103)89-120(90-132(98)104-43-18-7-19-44-104)114-60-36-57-111(83-114)102-73-78-126(79-74-102)153(127-69-39-63-117(86-127)112-58-37-61-115(84-112)121-91-133(105-45-20-8-21-46-105)99(2)134(92-121)106-47-22-9-23-48-106,128-70-40-64-118(87-128)113-59-38-62-116(85-113)122-93-135(107-49-24-10-25-50-107)100(3)136(94-122)108-51-26-11-27-52-108)129-80-81-130-137-96-139-138-88-119(101-71-76-125(77-72-101)151(123-65-32-14-33-66-123)124-67-34-15-35-68-124)75-82-142(138)152(143(139)97-141(137)147(4,5)140(130)95-129)146-149-144(109-53-28-12-29-54-109)148-145(150-146)110-55-30-13-31-56-110/h6-97H,1-5H3
InChIKeyDQRCVUBTOQASBO-UHFFFAOYSA-N
MW1971.59 g/mol
LogP36.05
Rot. Bonds23

About 4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline

4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline (PubChem CID 88917348) has the molecular formula C147H107N5Si and a molecular weight of 1971.59 g/mol. Its IUPAC name is 4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline
PubChem CID88917348
Molecular FormulaC147H107N5Si
Molecular Weight1971.59 g/mol
Exact Mass1969.83
IUPAC Name4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline
SMILESCc1c(-c2ccccc2)cc(-c2cccc(-c3ccc([Si](c4cccc(-c5cccc(-c6cc(-c7ccccc7)c(C)c(-c7ccccc7)c6)c5)c4)(c4cccc(-c5cccc(-c6cc(-c7ccccc7)c(C)c(-c7ccccc7)c6)c5)c4)c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)c4cc(-c5ccc(N(c7ccccc7)c7ccccc7)cc5)ccc4n6-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2)cc1-c1ccccc1
InChIInChI=1S/C147H107N5Si/c1-98-131(103-41-16-6-17-42-103)89-120(90-132(98)104-43-18-7-19-44-104)114-60-36-57-111(83-114)102-73-78-126(79-74-102)153(127-69-39-63-117(86-127)112-58-37-61-115(84-112)121-91-133(105-45-20-8-21-46-105)99(2)134(92-121)106-47-22-9-23-48-106,128-70-40-64-118(87-128)113-59-38-62-116(85-113)122-93-135(107-49-24-10-25-50-107)100(3)136(94-122)108-51-26-11-27-52-108)129-80-81-130-137-96-139-138-88-119(101-71-76-125(77-72-101)151(123-65-32-14-33-66-123)124-67-34-15-35-68-124)75-82-142(138)152(143(139)97-141(137)147(4,5)140(130)95-129)146-149-144(109-53-28-12-29-54-109)148-145(150-146)110-55-30-13-31-56-110/h6-97H,1-5H3
InChIKeyDQRCVUBTOQASBO-UHFFFAOYSA-N
XLogP36.05
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001971.59
LogP ≤ 536.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 87159836
5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 159343293
7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 140829871
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;7,7-dimethyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane
CID 160941476
6-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole
CID 118052543
tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane
CID 168836420
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-N,N-diphenylaniline
CID 88866654
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]-3-[3-(3,5-diphenylphenyl)phenyl]carbazole
CID 158897511
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 123165581
2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 157062931

Frequently Asked Questions

What is the IUPAC name of 4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline (CID 88917348) is 4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline is Cc1c(-c2ccccc2)cc(-c2cccc(-c3ccc([Si](c4cccc(-c5cccc(-c6cc(-c7ccccc7)c(C)c(-c7ccccc7)c6)c5)c4)(c4cccc(-c5cccc(-c6cc(-c7ccccc7)c(C)c(-c7ccccc7)c6)c5)c4)c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)c4cc(-c5ccc(N(c7ccccc7)c7ccccc7)cc5)ccc4n6-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2)cc1-c1ccccc1.
What is the InChIKey of 4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline?
The InChIKey is DQRCVUBTOQASBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C147H107N5Si/c1-98-131(103-41-16-6-17-42-103)89-120(90-132(98)104-43-18-7-19-44-104)114-60-36-57-111(83-114)102-73-78-126(79-74-102)153(127-69-39-63-117(86-127)112-58-37-61-115(84-112)121-91-133(105-45-20-8-21-46-105)99(2)134(92-121)106-47-22-9-23-48-106,128-70-40-64-118(87-128)113-59-38-62-116(85-113)122-93-135(107-49-24-10-25-50-107)100(3)136(94-122)108-51-26-11-27-52-108)129-80-81-130-137-96-139-138-88-119(101-71-76-125(77-72-101)151(123-65-32-14-33-66-123)124-67-34-15-35-68-124)75-82-142(138)152(143(139)97-141(137)147(4,5)140(130)95-129)146-149-144(109-53-28-12-29-54-109)148-145(150-146)110-55-30-13-31-56-110/h6-97H,1-5H3.
What are the key properties of 4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline?
4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline has a molecular weight of 1971.59 g/mol, XLogP of 36.05, 23 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 88917348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).