N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline

C64H46N4 — CID 144768904

IUPACN-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline
SMILESc1ccc(-c2cc3ccccc3n2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-n6c(-c7ccccc7)cc7ccccc76)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C64H46N4/c1-5-17-49(18-6-1)63-45-51-21-13-15-27-61(51)67(63)59-41-37-57(38-42-59)65(53-23-9-3-10-24-53)55-33-29-47(30-34-55)48-31-35-56(36-32-48)66(54-25-11-4-12-26-54)58-39-43-60(44-40-58)68-62-28-16-14-22-52(62)46-64(68)50-19-7-2-8-20-50/h1-46H
InChIKeyMBPMNRXQVVKGEM-UHFFFAOYSA-N
MW871.10 g/mol
LogP17.51
Rot. Bonds11

About N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline

N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline (PubChem CID 144768904) has the molecular formula C64H46N4 and a molecular weight of 871.10 g/mol. Its IUPAC name is N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline
PubChem CID144768904
Molecular FormulaC64H46N4
Molecular Weight871.10 g/mol
Exact Mass870.37
IUPAC NameN-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline
SMILESc1ccc(-c2cc3ccccc3n2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-n6c(-c7ccccc7)cc7ccccc76)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C64H46N4/c1-5-17-49(18-6-1)63-45-51-21-13-15-27-61(51)67(63)59-41-37-57(38-42-59)65(53-23-9-3-10-24-53)55-33-29-47(30-34-55)48-31-35-56(36-32-48)66(54-25-11-4-12-26-54)58-39-43-60(44-40-58)68-62-28-16-14-22-52(62)46-64(68)50-19-7-2-8-20-50/h1-46H
InChIKeyMBPMNRXQVVKGEM-UHFFFAOYSA-N
XLogP17.51
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.10
LogP ≤ 517.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diphenyl-4-(1-phenylindol-2-yl)aniline
CID 59993805
N-phenyl-N-[4-(1-phenylindol-2-yl)phenyl]naphthalen-1-amine
CID 145013973
N-[4-[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90128481
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 165047575
1,2-bis(4-methylphenyl)indole
CID 151814608
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline?
The IUPAC name of N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline (CID 144768904) is N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline.
What is the SMILES notation for N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline?
The canonical SMILES for N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline is c1ccc(-c2cc3ccccc3n2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-n6c(-c7ccccc7)cc7ccccc76)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline?
The InChIKey is MBPMNRXQVVKGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N4/c1-5-17-49(18-6-1)63-45-51-21-13-15-27-61(51)67(63)59-41-37-57(38-42-59)65(53-23-9-3-10-24-53)55-33-29-47(30-34-55)48-31-35-56(36-32-48)66(54-25-11-4-12-26-54)58-39-43-60(44-40-58)68-62-28-16-14-22-52(62)46-64(68)50-19-7-2-8-20-50/h1-46H.
What are the key properties of N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline?
N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline has a molecular weight of 871.10 g/mol, XLogP of 17.51, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline is sourced from PubChem (CID 144768904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).