4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline

C63H43N5 — CID 90231625

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c4ccc4c6c(nc(-c7ccccc7)n6-c6ccccc6)n(-c6ccccc6)c45)cc3)cc2)cc1
InChIInChI=1S/C63H43N5/c1-6-18-44(19-7-1)46-30-34-51(35-31-46)65(52-36-32-47(33-37-52)45-20-8-2-9-21-45)53-38-40-54(41-39-53)66-57-29-17-16-28-55(57)59-58(66)43-42-56-60(59)67(49-24-12-4-13-25-49)63-61(56)68(50-26-14-5-15-27-50)62(64-63)48-22-10-3-11-23-48/h1-43H
InChIKeyNQVRZAVDQKVMMN-UHFFFAOYSA-N
MW870.07 g/mol
LogP16.54
Rot. Bonds9

About 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline (PubChem CID 90231625) has the molecular formula C63H43N5 and a molecular weight of 870.07 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline
PubChem CID90231625
Molecular FormulaC63H43N5
Molecular Weight870.07 g/mol
Exact Mass869.35
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c4ccc4c6c(nc(-c7ccccc7)n6-c6ccccc6)n(-c6ccccc6)c45)cc3)cc2)cc1
InChIInChI=1S/C63H43N5/c1-6-18-44(19-7-1)46-30-34-51(35-31-46)65(52-36-32-47(33-37-52)45-20-8-2-9-21-45)53-38-40-54(41-39-53)66-57-29-17-16-28-55(57)59-58(66)43-42-56-60(59)67(49-24-12-4-13-25-49)63-61(56)68(50-26-14-5-15-27-50)62(64-63)48-22-10-3-11-23-48/h1-43H
InChIKeyNQVRZAVDQKVMMN-UHFFFAOYSA-N
XLogP16.54
TPSA30.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.07
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline with MolForge

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Related Compounds

N,4-diphenyl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]aniline
CID 145273269
N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 142474038
3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 145273285
benzene;N-naphthalen-2-yl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]naphthalen-2-amine
CID 145273265
N-[4-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145273395
N-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]triphenylen-2-amine
CID 142474030
N-phenyl-N-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]naphthalen-2-amine
CID 145273366
4-naphthalen-2-yl-N-phenyl-N-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]aniline
CID 163777791
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene
CID 144645993
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline (CID 90231625) is 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c4ccc4c6c(nc(-c7ccccc7)n6-c6ccccc6)n(-c6ccccc6)c45)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline?
The InChIKey is NQVRZAVDQKVMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N5/c1-6-18-44(19-7-1)46-30-34-51(35-31-46)65(52-36-32-47(33-37-52)45-20-8-2-9-21-45)53-38-40-54(41-39-53)66-57-29-17-16-28-55(57)59-58(66)43-42-56-60(59)67(49-24-12-4-13-25-49)63-61(56)68(50-26-14-5-15-27-50)62(64-63)48-22-10-3-11-23-48/h1-43H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline has a molecular weight of 870.07 g/mol, XLogP of 16.54, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-(3,6,7-triphenyl-3,5,7,13-tetrazapentacyclo[10.7.0.02,9.04,8.014,19]nonadeca-1(12),2(9),4(8),5,10,14,16,18-octaen-13-yl)phenyl]aniline is sourced from PubChem (CID 90231625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).