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

C102H78N2 — CID 157429569

IUPAC4-[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
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(N(c2ccccc2)c2ccc(C=C(c3ccccc3)c3ccccc3)c3ccccc23)cc1.Cc1ccc(C(=Cc2ccc(N(c3ccccc3)c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)c2ccc(C)cc2)cc1
InChIInChI=1S/C52H41N.C50H37N/c1-38-22-28-43(29-23-38)51(44-30-24-39(2)25-31-44)37-45-32-35-52(49-21-13-12-20-48(45)49)53(46-18-10-5-11-19-46)47-33-26-40(27-34-47)36-50(41-14-6-3-7-15-41)42-16-8-4-9-17-42;1-6-18-39(19-7-1)48(40-20-8-2-9-21-40)36-38-30-33-45(34-31-38)51(44-26-14-5-15-27-44)50-35-32-43(46-28-16-17-29-47(46)50)37-49(41-22-10-3-11-23-41)42-24-12-4-13-25-42/h3-37H,1-2H3;1-37H
InChIKeyBQJHLRKOSGOQDM-UHFFFAOYSA-N
MW1331.76 g/mol
LogP27.59
Rot. Bonds18

About 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

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 (PubChem CID 157429569) has the molecular formula C102H78N2 and a molecular weight of 1331.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID157429569
Molecular FormulaC102H78N2
Molecular Weight1331.76 g/mol
Exact Mass1330.62
IUPAC Name4-[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
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(N(c2ccccc2)c2ccc(C=C(c3ccccc3)c3ccccc3)c3ccccc23)cc1.Cc1ccc(C(=Cc2ccc(N(c3ccccc3)c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)c2ccc(C)cc2)cc1
InChIInChI=1S/C52H41N.C50H37N/c1-38-22-28-43(29-23-38)51(44-30-24-39(2)25-31-44)37-45-32-35-52(49-21-13-12-20-48(45)49)53(46-18-10-5-11-19-46)47-33-26-40(27-34-47)36-50(41-14-6-3-7-15-41)42-16-8-4-9-17-42;1-6-18-39(19-7-1)48(40-20-8-2-9-21-40)36-38-30-33-45(34-31-38)51(44-26-14-5-15-27-44)50-35-32-43(46-28-16-17-29-47(46)50)37-49(41-22-10-3-11-23-41)42-24-12-4-13-25-42/h3-37H,1-2H3;1-37H
InChIKeyBQJHLRKOSGOQDM-UHFFFAOYSA-N
XLogP27.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001331.76
LogP ≤ 527.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C(=C(c1ccccc1)c1ccccc1)c1ccc(N(c2ccccc2)c2ccc(C=C(c3ccccc3)c3ccccc3)c3ccccc23)cc1.Cc1ccc(C(=Cc2ccc(N(c3ccccc3)c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)c2ccc(C)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is BQJHLRKOSGOQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41N.C50H37N/c1-38-22-28-43(29-23-38)51(44-30-24-39(2)25-31-44)37-45-32-35-52(49-21-13-12-20-48(45)49)53(46-18-10-5-11-19-46)47-33-26-40(27-34-47)36-50(41-14-6-3-7-15-41)42-16-8-4-9-17-42;1-6-18-39(19-7-1)48(40-20-8-2-9-21-40)36-38-30-33-45(34-31-38)51(44-26-14-5-15-27-44)50-35-32-43(46-28-16-17-29-47(46)50)37-49(41-22-10-3-11-23-41)42-24-12-4-13-25-42/h3-37H,1-2H3;1-37H.
What are the key properties of 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?
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 has a molecular weight of 1331.76 g/mol, XLogP of 27.59, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157429569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).