(Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine

C49H36N2 — CID 130450015

IUPAC(Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine
SMILESCc1c(/C=C\N)n(-c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)cc12
InChIInChI=1S/C49H36N2/c1-33-45-32-39(28-29-47(45)51(46(33)30-31-50)40-14-6-3-7-15-40)36-22-20-34(21-23-36)35-24-26-38(27-25-35)49-43-18-10-8-16-41(43)48(37-12-4-2-5-13-37)42-17-9-11-19-44(42)49/h2-32H,50H2,1H3/b31-30-
InChIKeyMEQQNCKWPLERHV-KTMFPKCZSA-N
MW652.84 g/mol
LogP12.84
Rot. Bonds6

About (Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine

(Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine (PubChem CID 130450015) has the molecular formula C49H36N2 and a molecular weight of 652.84 g/mol. Its IUPAC name is (Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine.

Molecular Properties

Compound Name(Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine
PubChem CID130450015
Molecular FormulaC49H36N2
Molecular Weight652.84 g/mol
Exact Mass652.29
IUPAC Name(Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine
SMILESCc1c(/C=C\N)n(-c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)cc12
InChIInChI=1S/C49H36N2/c1-33-45-32-39(28-29-47(45)51(46(33)30-31-50)40-14-6-3-7-15-40)36-22-20-34(21-23-36)35-24-26-38(27-25-35)49-43-18-10-8-16-41(43)48(37-12-4-2-5-13-37)42-17-9-11-19-44(42)49/h2-32H,50H2,1H3/b31-30-
InChIKeyMEQQNCKWPLERHV-KTMFPKCZSA-N
XLogP12.84
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 512.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine 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

(Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine
CID 137466972
3-methyl-1,5-diphenyl-2-[(Z)-prop-1-enyl]indole
CID 139299207
(Z)-2-[5-[4-[10-(7H-benzo[7]annulen-4-yl)-3,4-dihydroanthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine
CID 126605091
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158633984
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3-[9-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-phenylindol-5-yl]carbazol-3-yl]-9-phenylcarbazole
CID 139481669
3-(10-methylanthracen-9-yl)-9-phenylcarbazole
CID 121339805
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
CID 134576445

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine?
The IUPAC name of (Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine (CID 130450015) is (Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine.
What is the SMILES notation for (Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine?
The canonical SMILES for (Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine is Cc1c(/C=C\N)n(-c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)cc12.
What is the InChIKey of (Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine?
The InChIKey is MEQQNCKWPLERHV-KTMFPKCZSA-N. The full InChI is InChI=1S/C49H36N2/c1-33-45-32-39(28-29-47(45)51(46(33)30-31-50)40-14-6-3-7-15-40)36-22-20-34(21-23-36)35-24-26-38(27-25-35)49-43-18-10-8-16-41(43)48(37-12-4-2-5-13-37)42-17-9-11-19-44(42)49/h2-32H,50H2,1H3/b31-30-.
What are the key properties of (Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine?
(Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine has a molecular weight of 652.84 g/mol, XLogP of 12.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine is sourced from PubChem (CID 130450015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).