N,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine

C94H64N4 — CID 158868757

IUPACN,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3-c3cn(-c5cccc(-c6ccccc6)c5)c5cccc-4c35)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3-c3cn(-c5ccccc5)c5cccc-4c35)cc2)cc1
InChIInChI=1S/C50H34N2.C44H30N2/c1-4-14-35(15-5-1)37-26-28-40(29-27-37)52(39-19-8-3-9-20-39)42-30-31-45-46-24-13-25-49-50(46)48(44-23-11-10-22-43(44)47(45)33-42)34-51(49)41-21-12-18-38(32-41)36-16-6-2-7-17-36;1-4-13-31(14-5-1)32-23-25-35(26-24-32)46(34-17-8-3-9-18-34)36-27-28-39-40-21-12-22-43-44(40)42(30-45(43)33-15-6-2-7-16-33)38-20-11-10-19-37(38)41(39)29-36/h1-34H;1-30H
InChIKeyJBOPWSYDTZZYPF-UHFFFAOYSA-N
MW1249.57 g/mol
LogP25.83
Rot. Bonds11

About N,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine

N,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine (PubChem CID 158868757) has the molecular formula C94H64N4 and a molecular weight of 1249.57 g/mol. Its IUPAC name is N,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine.

Molecular Properties

Compound NameN,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine
PubChem CID158868757
Molecular FormulaC94H64N4
Molecular Weight1249.57 g/mol
Exact Mass1248.51
IUPAC NameN,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3-c3cn(-c5cccc(-c6ccccc6)c5)c5cccc-4c35)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3-c3cn(-c5ccccc5)c5cccc-4c35)cc2)cc1
InChIInChI=1S/C50H34N2.C44H30N2/c1-4-14-35(15-5-1)37-26-28-40(29-27-37)52(39-19-8-3-9-20-39)42-30-31-45-46-24-13-25-49-50(46)48(44-23-11-10-22-43(44)47(45)33-42)34-51(49)41-21-12-18-38(32-41)36-16-6-2-7-17-36;1-4-13-31(14-5-1)32-23-25-35(26-24-32)46(34-17-8-3-9-18-34)36-27-28-39-40-21-12-22-43-44(40)42(30-45(43)33-15-6-2-7-16-33)38-20-11-10-19-37(38)41(39)29-36/h1-34H;1-30H
InChIKeyJBOPWSYDTZZYPF-UHFFFAOYSA-N
XLogP25.83
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001249.57
LogP ≤ 525.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine with MolForge

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Related Compounds

4-[4-(24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaen-24-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaen-24-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 160792109
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659553
N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 118601869
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
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CID 59090384
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 161304112
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158440650
4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline
CID 174245460
N-(3-carbazol-9-yl-4-phenylphenyl)-N-(3,4-diphenylphenyl)-3,4-diphenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3,4-diphenylphenyl)-3,4-diphenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 161317708
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717

Frequently Asked Questions

What is the IUPAC name of N,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine?
The IUPAC name of N,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine (CID 158868757) is N,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine.
What is the SMILES notation for N,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine?
The canonical SMILES for N,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3-c3cn(-c5cccc(-c6ccccc6)c5)c5cccc-4c35)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3-c3cn(-c5ccccc5)c5cccc-4c35)cc2)cc1.
What is the InChIKey of N,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine?
The InChIKey is JBOPWSYDTZZYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2.C44H30N2/c1-4-14-35(15-5-1)37-26-28-40(29-27-37)52(39-19-8-3-9-20-39)42-30-31-45-46-24-13-25-49-50(46)48(44-23-11-10-22-43(44)47(45)33-42)34-51(49)41-21-12-18-38(32-41)36-16-6-2-7-17-36;1-4-13-31(14-5-1)32-23-25-35(26-24-32)46(34-17-8-3-9-18-34)36-27-28-39-40-21-12-22-43-44(40)42(30-45(43)33-15-6-2-7-16-33)38-20-11-10-19-37(38)41(39)29-36/h1-34H;1-30H.
What are the key properties of N,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine?
N,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine has a molecular weight of 1249.57 g/mol, XLogP of 25.83, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine is sourced from PubChem (CID 158868757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).