N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline

C117H92N6 — CID 118554549

IUPACN-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cc(-c6ccc(N(C7=CC[C@@H](c8ccc(N(c9ccccc9)c9cccc(C)c9)cc8)C=C7)c7ccccc7)cc6)cc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(N(c9ccccc9)c9cccc(C)c9)cc8)cc7)cc6)c5)cc4)cc3)cc2)c1
InChIInChI=1S/C117H92N6/c1-85-25-22-40-115(79-85)121(103-34-16-7-17-35-103)112-67-49-91(50-68-112)88-43-61-106(62-44-88)118(100-28-10-4-11-29-100)109-73-55-94(56-74-109)97-82-98(95-57-75-110(76-58-95)119(101-30-12-5-13-31-101)107-63-45-89(46-64-107)92-51-69-113(70-52-92)122(104-36-18-8-19-37-104)116-41-23-26-86(2)80-116)84-99(83-97)96-59-77-111(78-60-96)120(102-32-14-6-15-33-102)108-65-47-90(48-66-108)93-53-71-114(72-54-93)123(105-38-20-9-21-39-105)117-42-24-27-87(3)81-117/h4-47,49-84,90H,48H2,1-3H3/t90-/m0/s1
InChIKeyFPGKILFHCZKZKE-KQIAXHLWSA-N
MW1582.06 g/mol
LogP33.06
Rot. Bonds24

About N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline

N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline (PubChem CID 118554549) has the molecular formula C117H92N6 and a molecular weight of 1582.06 g/mol. Its IUPAC name is N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline
PubChem CID118554549
Molecular FormulaC117H92N6
Molecular Weight1582.06 g/mol
Exact Mass1580.74
IUPAC NameN-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cc(-c6ccc(N(C7=CC[C@@H](c8ccc(N(c9ccccc9)c9cccc(C)c9)cc8)C=C7)c7ccccc7)cc6)cc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(N(c9ccccc9)c9cccc(C)c9)cc8)cc7)cc6)c5)cc4)cc3)cc2)c1
InChIInChI=1S/C117H92N6/c1-85-25-22-40-115(79-85)121(103-34-16-7-17-35-103)112-67-49-91(50-68-112)88-43-61-106(62-44-88)118(100-28-10-4-11-29-100)109-73-55-94(56-74-109)97-82-98(95-57-75-110(76-58-95)119(101-30-12-5-13-31-101)107-63-45-89(46-64-107)92-51-69-113(70-52-92)122(104-36-18-8-19-37-104)116-41-23-26-86(2)80-116)84-99(83-97)96-59-77-111(78-60-96)120(102-32-14-6-15-33-102)108-65-47-90(48-66-108)93-53-71-114(72-54-93)123(105-38-20-9-21-39-105)117-42-24-27-87(3)81-117/h4-47,49-84,90H,48H2,1-3H3/t90-/m0/s1
InChIKeyFPGKILFHCZKZKE-KQIAXHLWSA-N
XLogP33.06
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001582.06
LogP ≤ 533.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(4-methylphenyl)-10-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N,2-N,6-N-tris(4-phenylphenyl)anthracene-2,6-diamine
CID 59766431
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline
CID 166906979
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 167114371
3-methyl-N-phenyl-N-[4-[4-(N-(3-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 166794561
N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 158435448
4-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 134194276
N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 164821085

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline?
The IUPAC name of N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline (CID 118554549) is N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline.
What is the SMILES notation for N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline?
The canonical SMILES for N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline is Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cc(-c6ccc(N(C7=CC[C@@H](c8ccc(N(c9ccccc9)c9cccc(C)c9)cc8)C=C7)c7ccccc7)cc6)cc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(N(c9ccccc9)c9cccc(C)c9)cc8)cc7)cc6)c5)cc4)cc3)cc2)c1.
What is the InChIKey of N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline?
The InChIKey is FPGKILFHCZKZKE-KQIAXHLWSA-N. The full InChI is InChI=1S/C117H92N6/c1-85-25-22-40-115(79-85)121(103-34-16-7-17-35-103)112-67-49-91(50-68-112)88-43-61-106(62-44-88)118(100-28-10-4-11-29-100)109-73-55-94(56-74-109)97-82-98(95-57-75-110(76-58-95)119(101-30-12-5-13-31-101)107-63-45-89(46-64-107)92-51-69-113(70-52-92)122(104-36-18-8-19-37-104)116-41-23-26-86(2)80-116)84-99(83-97)96-59-77-111(78-60-96)120(102-32-14-6-15-33-102)108-65-47-90(48-66-108)93-53-71-114(72-54-93)123(105-38-20-9-21-39-105)117-42-24-27-87(3)81-117/h4-47,49-84,90H,48H2,1-3H3/t90-/m0/s1.
What are the key properties of N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline?
N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline has a molecular weight of 1582.06 g/mol, XLogP of 33.06, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline is sourced from PubChem (CID 118554549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).