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

C46H30N2 — CID 154936826

IUPACN-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
SMILESc1ccc(-c2ccccc2-c2cccc(N(c3ccccc3)c3cccc4c5ccc6cccc7c8ccccc8n(c34)c5c67)c2)cc1
InChIInChI=1S/C46H30N2/c1-3-14-31(15-4-1)36-21-7-8-22-37(36)33-17-11-20-35(30-33)47(34-18-5-2-6-19-34)43-27-13-25-40-41-29-28-32-16-12-24-39-38-23-9-10-26-42(38)48(45(40)43)46(41)44(32)39/h1-30H
InChIKeyWWEJTFYSYAZOHQ-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.79
Rot. Bonds5

About 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

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 (PubChem CID 154936826) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID154936826
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC NameN-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
SMILESc1ccc(-c2ccccc2-c2cccc(N(c3ccccc3)c3cccc4c5ccc6cccc7c8ccccc8n(c34)c5c67)c2)cc1
InChIInChI=1S/C46H30N2/c1-3-14-31(15-4-1)36-21-7-8-22-37(36)33-17-11-20-35(30-33)47(34-18-5-2-6-19-34)43-27-13-25-40-41-29-28-32-16-12-24-39-38-23-9-10-26-42(38)48(45(40)43)46(41)44(32)39/h1-30H
InChIKeyWWEJTFYSYAZOHQ-UHFFFAOYSA-N
XLogP12.79
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-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 with MolForge

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Related Compounds

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
N-[3-(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-19-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 154936811
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168788792
N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502247
6-carbazol-9-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine
CID 167414828
N-(4-phenanthren-9-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502544
N,N-diphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8(13),9,11,14(36),15,17,20,22,25,27,29,31(35),32-heptadecaen-9-amine
CID 169056077
N-[4-[3-[3-[4-[N-naphthalen-1-yl-3-[3-[4-(N-[4-[4-[2-[4-[4-(N-[4-[3-[3-[4-(N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 166778133
N-(4-carbazol-9-ylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790763
N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790997
1-N,10-N-diphenyl-1-N,10-N-bis(3-phenylphenyl)chrysene-1,10-diamine
CID 170410737
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501525

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccccc2-c2cccc(N(c3ccccc3)c3cccc4c5ccc6cccc7c8ccccc8n(c34)c5c67)c2)cc1.
What is the InChIKey of 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?
The InChIKey is WWEJTFYSYAZOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-3-14-31(15-4-1)36-21-7-8-22-37(36)33-17-11-20-35(30-33)47(34-18-5-2-6-19-34)43-27-13-25-40-41-29-28-32-16-12-24-39-38-23-9-10-26-42(38)48(45(40)43)46(41)44(32)39/h1-30H.
What are the key properties of 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?
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 has a molecular weight of 610.76 g/mol, XLogP of 12.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154936826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).