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

C54H36N2 — CID 146508656

IUPACN-[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
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6c6c(c(-c7ccccc7)c7ccccn76)c5c4)c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C54H36N2/c1-3-14-37(15-4-1)39-25-29-44(30-26-39)56(46-31-27-38-16-7-8-19-41(38)34-46)45-21-13-20-42(35-45)43-28-32-48-47-22-9-10-23-49(47)54-53(50(48)36-43)52(40-17-5-2-6-18-40)51-24-11-12-33-55(51)54/h1-36H
InChIKeyFABJHJHZUGBGMA-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.02
Rot. Bonds6

About 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

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 (PubChem CID 146508656) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID146508656
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC NameN-[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
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6c6c(c(-c7ccccc7)c7ccccn76)c5c4)c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C54H36N2/c1-3-14-37(15-4-1)39-25-29-44(30-26-39)56(46-31-27-38-16-7-8-19-41(38)34-46)45-21-13-20-42(35-45)43-28-32-48-47-22-9-10-23-49(47)54-53(50(48)36-43)52(40-17-5-2-6-18-40)51-24-11-12-33-55(51)54/h1-36H
InChIKeyFABJHJHZUGBGMA-UHFFFAOYSA-N
XLogP15.02
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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-[4-(12-phenylnaphtho[1,2-b]indolizin-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine
CID 146508802
N,6-diphenyl-N-[7-(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)phenanthren-2-yl]dibenzofuran-4-amine;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;5-(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)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;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-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 162136452
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
4-phenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146508640
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,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-2-yl)phenyl]aniline
CID 146508711
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-4-yl)phenyl]phenanthren-9-amine;N-phenanthren-2-yl-N-[4-[3-(12-phenylnaphtho[1,2-b]indolizin-1-yl)phenyl]phenyl]dibenzothiophen-2-amine;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]-N-(3-phenylphenyl)naphthalen-1-amine;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]-N-[4-(3-phenylphenyl)phenyl]phenanthren-2-amine;4-phenyl-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]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-1-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 160725602
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 169063604
N-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118087581

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6c6c(c(-c7ccccc7)c7ccccn76)c5c4)c3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is FABJHJHZUGBGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-3-14-37(15-4-1)39-25-29-44(30-26-39)56(46-31-27-38-16-7-8-19-41(38)34-46)45-21-13-20-42(35-45)43-28-32-48-47-22-9-10-23-49(47)54-53(50(48)36-43)52(40-17-5-2-6-18-40)51-24-11-12-33-55(51)54/h1-36H.
What are the key properties of 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?
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 has a molecular weight of 712.90 g/mol, XLogP of 15.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146508656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).