[4-[N-[4-[2,2-bis(4-methylphenyl)ethenyl]-6-(dibenzylamino)naphthalen-1-yl]-4-[(1Z)-4,4-diphenyl-1-pyridin-4-ylbuta-1,3-dienyl]anilino]phenyl]methanol

C74H61N3O — CID 88862381

IUPAC[4-[N-[4-[2,2-bis(4-methylphenyl)ethenyl]-6-(dibenzylamino)naphthalen-1-yl]-4-[(1Z)-4,4-diphenyl-1-pyridin-4-ylbuta-1,3-dienyl]anilino]phenyl]methanol
SMILESCc1ccc(C(=Cc2ccc(N(c3ccc(CO)cc3)c3ccc(/C(=C/C=C(c4ccccc4)c4ccccc4)c4ccncc4)cc3)c3ccc(N(Cc4ccccc4)Cc4ccccc4)cc23)c2ccc(C)cc2)cc1
InChIInChI=1S/C74H61N3O/c1-54-23-29-62(30-24-54)72(63-31-25-55(2)26-32-63)49-65-35-44-74(71-41-40-68(50-73(65)71)76(51-56-15-7-3-8-16-56)52-57-17-9-4-10-18-57)77(66-36-27-58(53-78)28-37-66)67-38-33-61(34-39-67)70(64-45-47-75-48-46-64)43-42-69(59-19-11-5-12-20-59)60-21-13-6-14-22-60/h3-50,78H,51-53H2,1-2H3/b70-43-
InChIKeyILEIJQMUCUTUGW-VMDMSXOASA-N
MW1008.32 g/mol
LogP18.17
Rot. Bonds17

About [4-[N-[4-[2,2-bis(4-methylphenyl)ethenyl]-6-(dibenzylamino)naphthalen-1-yl]-4-[(1Z)-4,4-diphenyl-1-pyridin-4-ylbuta-1,3-dienyl]anilino]phenyl]methanol

[4-[N-[4-[2,2-bis(4-methylphenyl)ethenyl]-6-(dibenzylamino)naphthalen-1-yl]-4-[(1Z)-4,4-diphenyl-1-pyridin-4-ylbuta-1,3-dienyl]anilino]phenyl]methanol (PubChem CID 88862381) has the molecular formula C74H61N3O and a molecular weight of 1008.32 g/mol. Its IUPAC name is [4-[N-[4-[2,2-bis(4-methylphenyl)ethenyl]-6-(dibenzylamino)naphthalen-1-yl]-4-[(1Z)-4,4-diphenyl-1-pyridin-4-ylbuta-1,3-dienyl]anilino]phenyl]methanol.

Molecular Properties

Compound Name[4-[N-[4-[2,2-bis(4-methylphenyl)ethenyl]-6-(dibenzylamino)naphthalen-1-yl]-4-[(1Z)-4,4-diphenyl-1-pyridin-4-ylbuta-1,3-dienyl]anilino]phenyl]methanol
PubChem CID88862381
Molecular FormulaC74H61N3O
Molecular Weight1008.32 g/mol
Exact Mass1007.48
IUPAC Name[4-[N-[4-[2,2-bis(4-methylphenyl)ethenyl]-6-(dibenzylamino)naphthalen-1-yl]-4-[(1Z)-4,4-diphenyl-1-pyridin-4-ylbuta-1,3-dienyl]anilino]phenyl]methanol
SMILESCc1ccc(C(=Cc2ccc(N(c3ccc(CO)cc3)c3ccc(/C(=C/C=C(c4ccccc4)c4ccccc4)c4ccncc4)cc3)c3ccc(N(Cc4ccccc4)Cc4ccccc4)cc23)c2ccc(C)cc2)cc1
InChIInChI=1S/C74H61N3O/c1-54-23-29-62(30-24-54)72(63-31-25-55(2)26-32-63)49-65-35-44-74(71-41-40-68(50-73(65)71)76(51-56-15-7-3-8-16-56)52-57-17-9-4-10-18-57)77(66-36-27-58(53-78)28-37-66)67-38-33-61(34-39-67)70(64-45-47-75-48-46-64)43-42-69(59-19-11-5-12-20-59)60-21-13-6-14-22-60/h3-50,78H,51-53H2,1-2H3/b70-43-
InChIKeyILEIJQMUCUTUGW-VMDMSXOASA-N
XLogP18.17
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.32
LogP ≤ 518.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(4-methylphenyl)naphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-(4-methylphenyl)naphthalen-1-amine
CID 161213338
4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 157429569
[4-[4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(4,4-diphenylbuta-1,3-dienyl)naphthalen-1-yl]anilino]-3-methylphenyl]methanol
CID 123893028
N,N-dibenzyl-4-(1,4,4-triphenylbuta-1,3-dienyl)aniline
CID 76569660
6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 77419755
2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline
CID 20685596
9-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-6,12-dimethyl-3-N,9-N-bis(4-methylphenyl)-3-N-[4-[(Z)-2-(4-methylphenyl)-2-phenylethenyl]phenyl]perylene-3,9-diamine
CID 20816635
[4-[(Z)-2-[4-[4-(hydroxymethyl)-N-[4-(hydroxymethyl)phenyl]anilino]phenyl]-1-phenylethenyl]phenyl]methanol
CID 146521934
4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine
CID 123864125
4-[4,4-bis(4-methylphenyl)-1-phenylbuta-1,3-dienyl]-N,N-dipropylaniline
CID 54020177
3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline
CID 154527272
N-(2,4-dimethylphenyl)-4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(2,2-diphenylethenyl)phenyl]naphthalen-1-amine
CID 123629815

Frequently Asked Questions

What is the IUPAC name of [4-[N-[4-[2,2-bis(4-methylphenyl)ethenyl]-6-(dibenzylamino)naphthalen-1-yl]-4-[(1Z)-4,4-diphenyl-1-pyridin-4-ylbuta-1,3-dienyl]anilino]phenyl]methanol?
The IUPAC name of [4-[N-[4-[2,2-bis(4-methylphenyl)ethenyl]-6-(dibenzylamino)naphthalen-1-yl]-4-[(1Z)-4,4-diphenyl-1-pyridin-4-ylbuta-1,3-dienyl]anilino]phenyl]methanol (CID 88862381) is [4-[N-[4-[2,2-bis(4-methylphenyl)ethenyl]-6-(dibenzylamino)naphthalen-1-yl]-4-[(1Z)-4,4-diphenyl-1-pyridin-4-ylbuta-1,3-dienyl]anilino]phenyl]methanol.
What is the SMILES notation for [4-[N-[4-[2,2-bis(4-methylphenyl)ethenyl]-6-(dibenzylamino)naphthalen-1-yl]-4-[(1Z)-4,4-diphenyl-1-pyridin-4-ylbuta-1,3-dienyl]anilino]phenyl]methanol?
The canonical SMILES for [4-[N-[4-[2,2-bis(4-methylphenyl)ethenyl]-6-(dibenzylamino)naphthalen-1-yl]-4-[(1Z)-4,4-diphenyl-1-pyridin-4-ylbuta-1,3-dienyl]anilino]phenyl]methanol is Cc1ccc(C(=Cc2ccc(N(c3ccc(CO)cc3)c3ccc(/C(=C/C=C(c4ccccc4)c4ccccc4)c4ccncc4)cc3)c3ccc(N(Cc4ccccc4)Cc4ccccc4)cc23)c2ccc(C)cc2)cc1.
What is the InChIKey of [4-[N-[4-[2,2-bis(4-methylphenyl)ethenyl]-6-(dibenzylamino)naphthalen-1-yl]-4-[(1Z)-4,4-diphenyl-1-pyridin-4-ylbuta-1,3-dienyl]anilino]phenyl]methanol?
The InChIKey is ILEIJQMUCUTUGW-VMDMSXOASA-N. The full InChI is InChI=1S/C74H61N3O/c1-54-23-29-62(30-24-54)72(63-31-25-55(2)26-32-63)49-65-35-44-74(71-41-40-68(50-73(65)71)76(51-56-15-7-3-8-16-56)52-57-17-9-4-10-18-57)77(66-36-27-58(53-78)28-37-66)67-38-33-61(34-39-67)70(64-45-47-75-48-46-64)43-42-69(59-19-11-5-12-20-59)60-21-13-6-14-22-60/h3-50,78H,51-53H2,1-2H3/b70-43-.
What are the key properties of [4-[N-[4-[2,2-bis(4-methylphenyl)ethenyl]-6-(dibenzylamino)naphthalen-1-yl]-4-[(1Z)-4,4-diphenyl-1-pyridin-4-ylbuta-1,3-dienyl]anilino]phenyl]methanol?
[4-[N-[4-[2,2-bis(4-methylphenyl)ethenyl]-6-(dibenzylamino)naphthalen-1-yl]-4-[(1Z)-4,4-diphenyl-1-pyridin-4-ylbuta-1,3-dienyl]anilino]phenyl]methanol has a molecular weight of 1008.32 g/mol, XLogP of 18.17, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[N-[4-[2,2-bis(4-methylphenyl)ethenyl]-6-(dibenzylamino)naphthalen-1-yl]-4-[(1Z)-4,4-diphenyl-1-pyridin-4-ylbuta-1,3-dienyl]anilino]phenyl]methanol is sourced from PubChem (CID 88862381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).