N-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine

C55H35N — CID 170118779

IUPACN-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4)c4ccccc4-c4cccc5ccc-3c2c45)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C55H35N/c1-3-16-36(17-4-1)42-23-12-14-29-51(42)56(52-34-38-18-7-8-22-41(38)43-24-9-10-26-46(43)52)40-31-33-45-48-32-30-37-19-15-27-47-44-25-11-13-28-49(44)55(50(45)35-40,54(48)53(37)47)39-20-5-2-6-21-39/h1-35H
InChIKeyHTJLDROKBQDMET-UHFFFAOYSA-N
MW709.89 g/mol
LogP14.63
Rot. Bonds5

About N-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine

N-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine (PubChem CID 170118779) has the molecular formula C55H35N and a molecular weight of 709.89 g/mol. Its IUPAC name is N-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine
PubChem CID170118779
Molecular FormulaC55H35N
Molecular Weight709.89 g/mol
Exact Mass709.28
IUPAC NameN-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4)c4ccccc4-c4cccc5ccc-3c2c45)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C55H35N/c1-3-16-36(17-4-1)42-23-12-14-29-51(42)56(52-34-38-18-7-8-22-41(38)43-24-9-10-26-46(43)52)40-31-33-45-48-32-30-37-19-15-27-47-44-25-11-13-28-49(44)55(50(45)35-40,54(48)53(37)47)39-20-5-2-6-21-39/h1-35H
InChIKeyHTJLDROKBQDMET-UHFFFAOYSA-N
XLogP14.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.89
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine 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

N-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
N,N-bis(2-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
CID 156664728
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-ylspiro[cyclohexane-1,9'-fluorene]-1'-amine
CID 142589214
N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303586
N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155303585
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304825
N-(5-tert-butyl-2-phenylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170292168
N-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170302496
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304763

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine?
The IUPAC name of N-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine (CID 170118779) is N-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine.
What is the SMILES notation for N-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine?
The canonical SMILES for N-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4)c4ccccc4-c4cccc5ccc-3c2c45)c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine?
The InChIKey is HTJLDROKBQDMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N/c1-3-16-36(17-4-1)42-23-12-14-29-51(42)56(52-34-38-18-7-8-22-41(38)43-24-9-10-26-46(43)52)40-31-33-45-48-32-30-37-19-15-27-47-44-25-11-13-28-49(44)55(50(45)35-40,54(48)53(37)47)39-20-5-2-6-21-39/h1-35H.
What are the key properties of N-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine?
N-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine has a molecular weight of 709.89 g/mol, XLogP of 14.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-1-phenyl-N-(2-phenylphenyl)hexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-19-amine is sourced from PubChem (CID 170118779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).