N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline

C61H42N6 — CID 135252502

IUPACN,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3n4-c3ccc(-c4nncc5cccnc45)cc3)cc2)cc1
InChIInChI=1S/C61H42N6/c1-5-15-49(16-6-1)65(50-17-7-2-8-18-50)53-31-23-43(24-32-53)46-29-37-58-56(40-46)57-41-47(44-25-33-54(34-26-44)66(51-19-9-3-10-20-51)52-21-11-4-12-22-52)30-38-59(57)67(58)55-35-27-45(28-36-55)61-60-48(42-63-64-61)14-13-39-62-60/h1-42H
InChIKeyFSWSBLRTMGGADK-UHFFFAOYSA-N
MW859.05 g/mol
LogP16.06
Rot. Bonds10

About N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline

N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline (PubChem CID 135252502) has the molecular formula C61H42N6 and a molecular weight of 859.05 g/mol. Its IUPAC name is N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline
PubChem CID135252502
Molecular FormulaC61H42N6
Molecular Weight859.05 g/mol
Exact Mass858.35
IUPAC NameN,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3n4-c3ccc(-c4nncc5cccnc45)cc3)cc2)cc1
InChIInChI=1S/C61H42N6/c1-5-15-49(16-6-1)65(50-17-7-2-8-18-50)53-31-23-43(24-32-53)46-29-37-58-56(40-46)57-41-47(44-25-33-54(34-26-44)66(51-19-9-3-10-20-51)52-21-11-4-12-22-52)30-38-59(57)67(58)55-35-27-45(28-36-55)61-60-48(42-63-64-61)14-13-39-62-60/h1-42H
InChIKeyFSWSBLRTMGGADK-UHFFFAOYSA-N
XLogP16.06
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.05
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(1,10-phenanthrolin-3-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130354202
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
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
9-[4-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130354239
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline
CID 59259835
N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489315
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
9-[4-[2,5-dimethyl-4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130354203
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]pyrazin-2-yl]-N-phenylaniline
CID 58921983

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline (CID 135252502) is N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3n4-c3ccc(-c4nncc5cccnc45)cc3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline?
The InChIKey is FSWSBLRTMGGADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N6/c1-5-15-49(16-6-1)65(50-17-7-2-8-18-50)53-31-23-43(24-32-53)46-29-37-58-56(40-46)57-41-47(44-25-33-54(34-26-44)66(51-19-9-3-10-20-51)52-21-11-4-12-22-52)30-38-59(57)67(58)55-35-27-45(28-36-55)61-60-48(42-63-64-61)14-13-39-62-60/h1-42H.
What are the key properties of N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline?
N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline has a molecular weight of 859.05 g/mol, XLogP of 16.06, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-pyrido[2,3-d]pyridazin-8-ylphenyl)carbazol-3-yl]aniline is sourced from PubChem (CID 135252502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).