N-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine

C57H36N4 — CID 154936823

IUPACN-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc5c6cccnc6n(-c6ccccc6)c5c4)c4cccc5c6ccc7cccc8c9ccccc9n(c45)c6c78)c3)cc2)cc1
InChIInChI=1S/C57H36N4/c1-3-13-37(14-4-1)38-26-28-39(29-27-38)41-16-9-19-43(35-41)59(44-31-33-46-50-23-12-34-58-57(50)60(53(46)36-44)42-17-5-2-6-18-42)52-25-11-22-48-49-32-30-40-15-10-21-47-45-20-7-8-24-51(45)61(55(48)52)56(49)54(40)47/h1-36H
InChIKeyJEJUZYMMYURPGX-UHFFFAOYSA-N
MW776.94 g/mol
LogP15.29
Rot. Bonds6

About N-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine

N-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine (PubChem CID 154936823) has the molecular formula C57H36N4 and a molecular weight of 776.94 g/mol. Its IUPAC name is N-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine.

Molecular Properties

Compound NameN-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine
PubChem CID154936823
Molecular FormulaC57H36N4
Molecular Weight776.94 g/mol
Exact Mass776.29
IUPAC NameN-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc5c6cccnc6n(-c6ccccc6)c5c4)c4cccc5c6ccc7cccc8c9ccccc9n(c45)c6c78)c3)cc2)cc1
InChIInChI=1S/C57H36N4/c1-3-13-37(14-4-1)38-26-28-39(29-27-38)41-16-9-19-43(35-41)59(44-31-33-46-50-23-12-34-58-57(50)60(53(46)36-44)42-17-5-2-6-18-42)52-25-11-22-48-49-32-30-40-15-10-21-47-45-20-7-8-24-51(45)61(55(48)52)56(49)54(40)47/h1-36H
InChIKeyJEJUZYMMYURPGX-UHFFFAOYSA-N
XLogP15.29
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.94
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine with MolForge

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Related Compounds

N-phenyl-N-[3-(2-phenylphenyl)phenyl]-1-azahexacyclo[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-20-amine
CID 154936826
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]aniline
CID 121296363
9-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060
N-(3,5-diphenylphenyl)-N-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine
CID 145354805
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 174258400
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
N,N-diphenyl-11-(4-phenylphenyl)benzo[a]carbazol-8-amine;N,N-diphenyl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine;N,N,11-triphenylbenzo[a]carbazol-10-amine
CID 164979626
N-(3,5-diphenylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphthalen-1-amine
CID 168781568
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258187
14-(3-pyrido[2,3-b]indol-9-ylphenyl)-14,23-diazanonacyclo[21.10.1.02,22.03,15.04,13.07,12.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4(13),5,7,9,11,16,18,20,24,26,28,30(34),31-hexadecaene
CID 146826614
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 169065210
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine?
The IUPAC name of N-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine (CID 154936823) is N-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine.
What is the SMILES notation for N-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine?
The canonical SMILES for N-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine is c1ccc(-c2ccc(-c3cccc(N(c4ccc5c6cccnc6n(-c6ccccc6)c5c4)c4cccc5c6ccc7cccc8c9ccccc9n(c45)c6c78)c3)cc2)cc1.
What is the InChIKey of N-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine?
The InChIKey is JEJUZYMMYURPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4/c1-3-13-37(14-4-1)38-26-28-39(29-27-38)41-16-9-19-43(35-41)59(44-31-33-46-50-23-12-34-58-57(50)60(53(46)36-44)42-17-5-2-6-18-42)52-25-11-22-48-49-32-30-40-15-10-21-47-45-20-7-8-24-51(45)61(55(48)52)56(49)54(40)47/h1-36H.
What are the key properties of N-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine?
N-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine has a molecular weight of 776.94 g/mol, XLogP of 15.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylphenyl)phenyl]-N-(9-phenylpyrido[2,3-b]indol-7-yl)-1-azahexacyclo[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-20-amine is sourced from PubChem (CID 154936823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).