4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline

C56H38N2 — CID 146508932

IUPAC4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccccc6c6c(-c7ccccc7)c7ccccn7c6c5c4)cc3)cc2)cc1
InChIInChI=1S/C56H38N2/c1-4-14-39(15-5-1)41-23-30-46(31-24-41)58(47-32-25-42(26-33-47)40-16-6-2-7-17-40)48-34-27-43(28-35-48)45-29-36-50-49-20-10-11-21-51(49)55-54(44-18-8-3-9-19-44)53-22-12-13-37-57(53)56(55)52(50)38-45/h1-38H
InChIKeyDHUDMDAMHRSYDA-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.54
Rot. Bonds7

About 4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 146508932) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID146508932
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC Name4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccccc6c6c(-c7ccccc7)c7ccccn7c6c5c4)cc3)cc2)cc1
InChIInChI=1S/C56H38N2/c1-4-14-39(15-5-1)41-23-30-46(31-24-41)58(47-32-25-42(26-33-47)40-16-6-2-7-17-40)48-34-27-43(28-35-48)45-29-36-50-49-20-10-11-21-51(49)55-54(44-18-8-3-9-19-44)53-22-12-13-37-57(53)56(55)52(50)38-45/h1-38H
InChIKeyDHUDMDAMHRSYDA-UHFFFAOYSA-N
XLogP15.54
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146508892
N-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 146508656
4-phenyl-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 146508948
4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146508640
N,9,9-triphenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-4-yl)phenyl]fluoren-2-amine
CID 146508618
N-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine
CID 146508802
N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146508947
N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-2-yl)phenyl]aniline
CID 146508711
N-phenanthren-2-yl-N-[4-[3-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 146508949
N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 71251507
N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-4-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine
CID 162017725
N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine
CID 161243303

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 146508932) is 4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccccc6c6c(-c7ccccc7)c7ccccn7c6c5c4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is DHUDMDAMHRSYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-4-14-39(15-5-1)41-23-30-46(31-24-41)58(47-32-25-42(26-33-47)40-16-6-2-7-17-40)48-34-27-43(28-35-48)45-29-36-50-49-20-10-11-21-51(49)55-54(44-18-8-3-9-19-44)53-22-12-13-37-57(53)56(55)52(50)38-45/h1-38H.
What are the key properties of 4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 738.93 g/mol, XLogP of 15.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 146508932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).