N-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine

C120H90N4 — CID 155238185

IUPACN-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine
SMILESC=C(/C=C\C1=C(C)C(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)ccc21)N(c1ccc(-c2cccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)cc5)cc4)c3)c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C120H90N4/c1-84(45-79-113-85(2)120(3,4)117-83-112(78-80-116(113)117)124(119-44-24-36-99-34-18-20-42-115(99)119)111-76-56-93(57-77-111)89-31-15-8-16-32-89)121(118-43-23-35-98-33-17-19-41-114(98)118)104-62-58-96(59-63-104)100-37-21-39-102(81-100)103-40-22-38-101(82-103)97-60-74-110(75-61-97)123(107-68-50-92(51-69-107)88-29-13-7-14-30-88)109-72-54-95(55-73-109)94-52-70-108(71-53-94)122(105-64-46-90(47-65-105)86-25-9-5-10-26-86)106-66-48-91(49-67-106)87-27-11-6-12-28-87/h5-83H,1H2,2-4H3/b79-45-
InChIKeySGHFOAPHTXKYCX-MDASFQITSA-N
MW1588.07 g/mol
LogP33.71
Rot. Bonds22

About N-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine

N-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine (PubChem CID 155238185) has the molecular formula C120H90N4 and a molecular weight of 1588.07 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine
PubChem CID155238185
Molecular FormulaC120H90N4
Molecular Weight1588.07 g/mol
Exact Mass1586.72
IUPAC NameN-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine
SMILESC=C(/C=C\C1=C(C)C(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)ccc21)N(c1ccc(-c2cccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)cc5)cc4)c3)c2)cc1)c1cccc2ccccc12
InChIInChI=1S/C120H90N4/c1-84(45-79-113-85(2)120(3,4)117-83-112(78-80-116(113)117)124(119-44-24-36-99-34-18-20-42-115(99)119)111-76-56-93(57-77-111)89-31-15-8-16-32-89)121(118-43-23-35-98-33-17-19-41-114(98)118)104-62-58-96(59-63-104)100-37-21-39-102(81-100)103-40-22-38-101(82-103)97-60-74-110(75-61-97)123(107-68-50-92(51-69-107)88-29-13-7-14-30-88)109-72-54-95(55-73-109)94-52-70-108(71-53-94)122(105-64-46-90(47-65-105)86-25-9-5-10-26-86)106-66-48-91(49-67-106)87-27-11-6-12-28-87/h5-83H,1H2,2-4H3/b79-45-
InChIKeySGHFOAPHTXKYCX-MDASFQITSA-N
XLogP33.71
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001588.07
LogP ≤ 533.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine with MolForge

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Related Compounds

9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-7-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89068043
N-[4-[4-(N-(3,5-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59861267
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoren-2-amine
CID 89067766
2-N,7-N-bis(4-ethenylphenyl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;4-ethenyl-N-[4-[4-(N-(4-ethenylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine
CID 159874682
9,9-dimethyl-7-naphthalen-1-yl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050412
4-[4-[[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-naphthalen-1-ylamino]phenyl]benzoic acid
CID 139978890
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine (CID 155238185) is N-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine is C=C(/C=C\C1=C(C)C(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)ccc21)N(c1ccc(-c2cccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)cc5)cc4)c3)c2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine?
The InChIKey is SGHFOAPHTXKYCX-MDASFQITSA-N. The full InChI is InChI=1S/C120H90N4/c1-84(45-79-113-85(2)120(3,4)117-83-112(78-80-116(113)117)124(119-44-24-36-99-34-18-20-42-115(99)119)111-76-56-93(57-77-111)89-31-15-8-16-32-89)121(118-43-23-35-98-33-17-19-41-114(98)118)104-62-58-96(59-63-104)100-37-21-39-102(81-100)103-40-22-38-101(82-103)97-60-74-110(75-61-97)123(107-68-50-92(51-69-107)88-29-13-7-14-30-88)109-72-54-95(55-73-109)94-52-70-108(71-53-94)122(105-64-46-90(47-65-105)86-25-9-5-10-26-86)106-66-48-91(49-67-106)87-27-11-6-12-28-87/h5-83H,1H2,2-4H3/b79-45-.
What are the key properties of N-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine?
N-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine has a molecular weight of 1588.07 g/mol, XLogP of 33.71, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[2,3,3-trimethyl-1-[(1Z)-3-[N-naphthalen-1-yl-4-[3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino]buta-1,3-dienyl]inden-5-yl]naphthalen-1-amine is sourced from PubChem (CID 155238185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).