N-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine

C106H90N2 — CID 159471400

IUPACN-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESC(/C=C/c1ccc(N(c2cccc(C=C(c3ccccc3)c3ccccc3)c2)c2ccc3c(c2)CCCC3)cc1)=C(c1ccccc1)c1ccccc1.Cc1ccc(C(=Cc2cccc(N(c3ccc4c(c3)CCCC4)c3ccccc3/C=C/C=C(c3ccccc3)c3ccccc3)c2)c2ccc(C)cc2)cc1
InChIInChI=1S/C54H47N.C52H43N/c1-40-27-31-46(32-28-40)53(47-33-29-41(2)30-34-47)38-42-15-13-24-50(37-42)55(51-36-35-43-16-9-10-22-49(43)39-51)54-26-12-11-21-48(54)23-14-25-52(44-17-5-3-6-18-44)45-19-7-4-8-20-45;1-5-20-43(21-6-1)51(44-22-7-2-8-23-44)30-16-17-40-31-34-48(35-32-40)53(50-36-33-42-19-13-14-28-47(42)39-50)49-29-15-18-41(37-49)38-52(45-24-9-3-10-25-45)46-26-11-4-12-27-46/h3-8,11-15,17-21,23-39H,9-10,16,22H2,1-2H3;1-12,15-18,20-27,29-39H,13-14,19,28H2/b23-14+;17-16+
InChIKeyLVVWUVAVXQVFPK-KGHVORIUSA-N
MW1391.90 g/mol
LogP28.16
Rot. Bonds20

About N-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine

N-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 159471400) has the molecular formula C106H90N2 and a molecular weight of 1391.90 g/mol. Its IUPAC name is N-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID159471400
Molecular FormulaC106H90N2
Molecular Weight1391.90 g/mol
Exact Mass1390.71
IUPAC NameN-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESC(/C=C/c1ccc(N(c2cccc(C=C(c3ccccc3)c3ccccc3)c2)c2ccc3c(c2)CCCC3)cc1)=C(c1ccccc1)c1ccccc1.Cc1ccc(C(=Cc2cccc(N(c3ccc4c(c3)CCCC4)c3ccccc3/C=C/C=C(c3ccccc3)c3ccccc3)c2)c2ccc(C)cc2)cc1
InChIInChI=1S/C54H47N.C52H43N/c1-40-27-31-46(32-28-40)53(47-33-29-41(2)30-34-47)38-42-15-13-24-50(37-42)55(51-36-35-43-16-9-10-22-49(43)39-51)54-26-12-11-21-48(54)23-14-25-52(44-17-5-3-6-18-44)45-19-7-4-8-20-45;1-5-20-43(21-6-1)51(44-22-7-2-8-23-44)30-16-17-40-31-34-48(35-32-40)53(50-36-33-42-19-13-14-28-47(42)39-50)49-29-15-18-41(37-49)38-52(45-24-9-3-10-25-45)46-26-11-4-12-27-46/h3-8,11-15,17-21,23-39H,9-10,16,22H2,1-2H3;1-12,15-18,20-27,29-39H,13-14,19,28H2/b23-14+;17-16+
InChIKeyLVVWUVAVXQVFPK-KGHVORIUSA-N
XLogP28.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001391.90
LogP ≤ 528.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine with MolForge

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Related Compounds

N-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[3-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 89445655
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
N,N-bis[3-(4,4-diphenylbuta-1,3-dienyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 123935033
4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine
CID 123236013
N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 155077496
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline
CID 54461178
1-N,3-N-bis(4-methylphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1-N,3-N-bis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 121368155
4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline
CID 23371223
N-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 158041977
N-[4-[2-(4-cyclohexylphenyl)-2-phenylethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 54386971
N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 20762376
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-diphenylaniline
CID 23069421

Frequently Asked Questions

What is the IUPAC name of N-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine (CID 159471400) is N-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine is C(/C=C/c1ccc(N(c2cccc(C=C(c3ccccc3)c3ccccc3)c2)c2ccc3c(c2)CCCC3)cc1)=C(c1ccccc1)c1ccccc1.Cc1ccc(C(=Cc2cccc(N(c3ccc4c(c3)CCCC4)c3ccccc3/C=C/C=C(c3ccccc3)c3ccccc3)c2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is LVVWUVAVXQVFPK-KGHVORIUSA-N. The full InChI is InChI=1S/C54H47N.C52H43N/c1-40-27-31-46(32-28-40)53(47-33-29-41(2)30-34-47)38-42-15-13-24-50(37-42)55(51-36-35-43-16-9-10-22-49(43)39-51)54-26-12-11-21-48(54)23-14-25-52(44-17-5-3-6-18-44)45-19-7-4-8-20-45;1-5-20-43(21-6-1)51(44-22-7-2-8-23-44)30-16-17-40-31-34-48(35-32-40)53(50-36-33-42-19-13-14-28-47(42)39-50)49-29-15-18-41(37-49)38-52(45-24-9-3-10-25-45)46-26-11-4-12-27-46/h3-8,11-15,17-21,23-39H,9-10,16,22H2,1-2H3;1-12,15-18,20-27,29-39H,13-14,19,28H2/b23-14+;17-16+.
What are the key properties of N-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
N-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 1391.90 g/mol, XLogP of 28.16, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-[2-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine;N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[3-(2,2-diphenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 159471400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).