N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C51H40N2 — CID 123739218

IUPACN-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)C2=C(CCC=C2)n2c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3c3cccc1c32
InChIInChI=1S/C51H40N2/c1-51(2)46-17-9-10-19-49(46)53-48-33-26-40(34-45(48)44-16-11-18-47(51)50(44)53)39-24-31-43(32-25-39)52(41-27-20-37(21-28-41)35-12-5-3-6-13-35)42-29-22-38(23-30-42)36-14-7-4-8-15-36/h3-9,11-18,20-34H,10,19H2,1-2H3
InChIKeyUQEOMZZFPBFQGL-UHFFFAOYSA-N
MW680.90 g/mol
LogP14.12
Rot. Bonds6

About N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 123739218) has the molecular formula C51H40N2 and a molecular weight of 680.90 g/mol. Its IUPAC name is N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID123739218
Molecular FormulaC51H40N2
Molecular Weight680.90 g/mol
Exact Mass680.32
IUPAC NameN-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)C2=C(CCC=C2)n2c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3c3cccc1c32
InChIInChI=1S/C51H40N2/c1-51(2)46-17-9-10-19-49(46)53-48-33-26-40(34-45(48)44-16-11-18-47(51)50(44)53)39-24-31-43(32-25-39)52(41-27-20-37(21-28-41)35-12-5-3-6-13-35)42-29-22-38(23-30-42)36-14-7-4-8-15-36/h3-9,11-18,20-34H,10,19H2,1-2H3
InChIKeyUQEOMZZFPBFQGL-UHFFFAOYSA-N
XLogP14.12
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.90
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

13,13-dimethyl-N-(3-naphthalen-2-ylphenyl)-N,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-amine
CID 70886014
N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine
CID 70885802
N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 70893086
N-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70893054
N-(4-tert-butylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70886023
8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene
CID 144631831
N-cyclohexa-1,5-dien-1-yl-4-[13,13-dimethyl-10-[4-(N-phenylanilino)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-N-phenylaniline
CID 70886323
N-[4-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121445356
13,13-dimethyl-N,N-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 67325570
N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 71023378
10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene]-2'-amine
CID 135140047
4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 166723492

Frequently Asked Questions

What is the IUPAC name of N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 123739218) is N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CC1(C)C2=C(CCC=C2)n2c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3c3cccc1c32.
What is the InChIKey of N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is UQEOMZZFPBFQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N2/c1-51(2)46-17-9-10-19-49(46)53-48-33-26-40(34-45(48)44-16-11-18-47(51)50(44)53)39-24-31-43(32-25-39)52(41-27-20-37(21-28-41)35-12-5-3-6-13-35)42-29-22-38(23-30-42)36-14-7-4-8-15-36/h3-9,11-18,20-34H,10,19H2,1-2H3.
What are the key properties of N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 680.90 g/mol, XLogP of 14.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 123739218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).