4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline

C121H86N6 — CID 146331747

IUPAC4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline
SMILESCc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc(-c3ccc(N(c4ccc(-c5ccc(-c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)c6)cc5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c2)cc1
InChIInChI=1S/C121H86N6/c1-85-43-45-88(46-44-85)94-79-96(92-57-67-107(68-58-92)124(104-33-15-6-16-34-104)110-71-75-112(76-72-110)126-118-39-21-17-35-114(118)115-36-18-22-40-119(115)126)83-97(80-94)93-59-69-109(70-60-93)125(111-73-77-113(78-74-111)127-120-41-23-19-37-116(120)117-38-20-24-42-121(117)127)108-61-51-87(52-62-108)86-47-49-89(50-48-86)95-81-98(90-53-63-105(64-54-90)122(100-25-7-2-8-26-100)101-27-9-3-10-28-101)84-99(82-95)91-55-65-106(66-56-91)123(102-29-11-4-12-30-102)103-31-13-5-14-32-103/h2-84H,1H3
InChIKeyNADDNBTUGHQJRM-UHFFFAOYSA-N
MW1624.06 g/mol
LogP33.74
Rot. Bonds21

About 4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline

4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline (PubChem CID 146331747) has the molecular formula C121H86N6 and a molecular weight of 1624.06 g/mol. Its IUPAC name is 4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline
PubChem CID146331747
Molecular FormulaC121H86N6
Molecular Weight1624.06 g/mol
Exact Mass1622.69
IUPAC Name4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline
SMILESCc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc(-c3ccc(N(c4ccc(-c5ccc(-c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)c6)cc5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c2)cc1
InChIInChI=1S/C121H86N6/c1-85-43-45-88(46-44-85)94-79-96(92-57-67-107(68-58-92)124(104-33-15-6-16-34-104)110-71-75-112(76-72-110)126-118-39-21-17-35-114(118)115-36-18-22-40-119(115)126)83-97(80-94)93-59-69-109(70-60-93)125(111-73-77-113(78-74-111)127-120-41-23-19-37-116(120)117-38-20-24-42-121(117)127)108-61-51-87(52-62-108)86-47-49-89(50-48-86)95-81-98(90-53-63-105(64-54-90)122(100-25-7-2-8-26-100)101-27-9-3-10-28-101)84-99(82-95)91-55-65-106(66-56-91)123(102-29-11-4-12-30-102)103-31-13-5-14-32-103/h2-84H,1H3
InChIKeyNADDNBTUGHQJRM-UHFFFAOYSA-N
XLogP33.74
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001624.06
LogP ≤ 533.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline with MolForge

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Related Compounds

N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 160896823
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 159948060
4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 162228540
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
N-[4-[3-carbazol-9-yl-6-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 156545359
N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
CID 153490348
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline?
The IUPAC name of 4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline (CID 146331747) is 4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for 4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for 4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline is Cc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc(-c3ccc(N(c4ccc(-c5ccc(-c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)c6)cc5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c2)cc1.
What is the InChIKey of 4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline?
The InChIKey is NADDNBTUGHQJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C121H86N6/c1-85-43-45-88(46-44-85)94-79-96(92-57-67-107(68-58-92)124(104-33-15-6-16-34-104)110-71-75-112(76-72-110)126-118-39-21-17-35-114(118)115-36-18-22-40-119(115)126)83-97(80-94)93-59-69-109(70-60-93)125(111-73-77-113(78-74-111)127-120-41-23-19-37-116(120)117-38-20-24-42-121(117)127)108-61-51-87(52-62-108)86-47-49-89(50-48-86)95-81-98(90-53-63-105(64-54-90)122(100-25-7-2-8-26-100)101-27-9-3-10-28-101)84-99(82-95)91-55-65-106(66-56-91)123(102-29-11-4-12-30-102)103-31-13-5-14-32-103/h2-84H,1H3.
What are the key properties of 4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline?
4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline has a molecular weight of 1624.06 g/mol, XLogP of 33.74, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 146331747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).