N-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine

C69H49N7 — CID 145163384

IUPACN-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine
SMILESC1=CC(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)n2)=CCC1
InChIInChI=1S/C69H49N7/c1-6-24-48(25-7-1)67-70-68(57-36-18-22-40-63(57)75-61-38-20-16-34-55(61)59-46-53(42-44-65(59)75)73(49-26-8-2-9-27-49)50-28-10-3-11-29-50)72-69(71-67)58-37-19-23-41-64(58)76-62-39-21-17-35-56(62)60-47-54(43-45-66(60)76)74(51-30-12-4-13-31-51)52-32-14-5-15-33-52/h1-4,6-14,16-47H,5,15H2
InChIKeyAYVKNHXUAUQMBJ-UHFFFAOYSA-N
MW976.20 g/mol
LogP17.91
Rot. Bonds11

About N-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine

N-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine (PubChem CID 145163384) has the molecular formula C69H49N7 and a molecular weight of 976.20 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine
PubChem CID145163384
Molecular FormulaC69H49N7
Molecular Weight976.20 g/mol
Exact Mass975.40
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine
SMILESC1=CC(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)n2)=CCC1
InChIInChI=1S/C69H49N7/c1-6-24-48(25-7-1)67-70-68(57-36-18-22-40-63(57)75-61-38-20-16-34-55(61)59-46-53(42-44-65(59)75)73(49-26-8-2-9-27-49)50-28-10-3-11-29-50)72-69(71-67)58-37-19-23-41-64(58)76-62-39-21-17-35-56(62)60-47-54(43-45-66(60)76)74(51-30-12-4-13-31-51)52-32-14-5-15-33-52/h1-4,6-14,16-47H,5,15H2
InChIKeyAYVKNHXUAUQMBJ-UHFFFAOYSA-N
XLogP17.91
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.20
LogP ≤ 517.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine with MolForge

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Related Compounds

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 164936474
9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-carbazol-9-ylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 155636551
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630120
boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine
CID 87174608
4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211165
5-(2,6-diphenylpyrimidin-4-yl)-2-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile
CID 126735104
N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 134472395
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 146573232
N-[4-[4-[2-(2-cyclohexa-1,5-dien-1-yl-6-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166876411
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole
CID 170136413
N-cyclohexa-1,5-dien-1-yl-4-[13,13-dimethyl-10-[4-(N-phenylanilino)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-N-phenylaniline
CID 70886323

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine (CID 145163384) is N-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine is C1=CC(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)n2)=CCC1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine?
The InChIKey is AYVKNHXUAUQMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49N7/c1-6-24-48(25-7-1)67-70-68(57-36-18-22-40-63(57)75-61-38-20-16-34-55(61)59-46-53(42-44-65(59)75)73(49-26-8-2-9-27-49)50-28-10-3-11-29-50)72-69(71-67)58-37-19-23-41-64(58)76-62-39-21-17-35-56(62)60-47-54(43-45-66(60)76)74(51-30-12-4-13-31-51)52-32-14-5-15-33-52/h1-4,6-14,16-47H,5,15H2.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine?
N-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine has a molecular weight of 976.20 g/mol, XLogP of 17.91, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-N-phenyl-9-[2-[4-phenyl-6-[2-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-amine is sourced from PubChem (CID 145163384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).