(Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine

C47H36N2 — CID 137466972

IUPAC(Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine
SMILESCc1c(/C=C\N)n(-c2ccccc2)c2ccc(-c3cccc(-c4c5ccccc5c(C5C=CC=C6C=CC=CC65)c5ccccc45)c3)cc12
InChIInChI=1S/C47H36N2/c1-31-43-30-34(25-26-45(43)49(44(31)27-28-48)36-17-3-2-4-18-36)33-15-11-16-35(29-33)46-39-20-7-9-22-41(39)47(42-23-10-8-21-40(42)46)38-24-12-14-32-13-5-6-19-37(32)38/h2-30,37-38H,48H2,1H3/b28-27-
InChIKeyZLHVZIVHNIQDBP-DQSJHHFOSA-N
MW628.82 g/mol
LogP11.83
Rot. Bonds5

About (Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine

(Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine (PubChem CID 137466972) has the molecular formula C47H36N2 and a molecular weight of 628.82 g/mol. Its IUPAC name is (Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine.

Molecular Properties

Compound Name(Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine
PubChem CID137466972
Molecular FormulaC47H36N2
Molecular Weight628.82 g/mol
Exact Mass628.29
IUPAC Name(Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine
SMILESCc1c(/C=C\N)n(-c2ccccc2)c2ccc(-c3cccc(-c4c5ccccc5c(C5C=CC=C6C=CC=CC65)c5ccccc45)c3)cc12
InChIInChI=1S/C47H36N2/c1-31-43-30-34(25-26-45(43)49(44(31)27-28-48)36-17-3-2-4-18-36)33-15-11-16-35(29-33)46-39-20-7-9-22-41(39)47(42-23-10-8-21-40(42)46)38-24-12-14-32-13-5-6-19-37(32)38/h2-30,37-38H,48H2,1H3/b28-27-
InChIKeyZLHVZIVHNIQDBP-DQSJHHFOSA-N
XLogP11.83
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.82
LogP ≤ 511.83
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-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-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-[3-methyl-1-phenyl-5-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-2-yl]ethenamine
CID 130450015
(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
3-methyl-1,5-diphenyl-2-[(Z)-prop-1-enyl]indole
CID 139299207
3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 146650214
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
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
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
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
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine?
The IUPAC name of (Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine (CID 137466972) is (Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine.
What is the SMILES notation for (Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine?
The canonical SMILES for (Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine is Cc1c(/C=C\N)n(-c2ccccc2)c2ccc(-c3cccc(-c4c5ccccc5c(C5C=CC=C6C=CC=CC65)c5ccccc45)c3)cc12.
What is the InChIKey of (Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine?
The InChIKey is ZLHVZIVHNIQDBP-DQSJHHFOSA-N. The full InChI is InChI=1S/C47H36N2/c1-31-43-30-34(25-26-45(43)49(44(31)27-28-48)36-17-3-2-4-18-36)33-15-11-16-35(29-33)46-39-20-7-9-22-41(39)47(42-23-10-8-21-40(42)46)38-24-12-14-32-13-5-6-19-37(32)38/h2-30,37-38H,48H2,1H3/b28-27-.
What are the key properties of (Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine?
(Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine has a molecular weight of 628.82 g/mol, XLogP of 11.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[5-[3-[10-(1,8a-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-3-methyl-1-phenylindol-2-yl]ethenamine is sourced from PubChem (CID 137466972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).