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

C62H45N3 — CID 118601869

IUPACN,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7cccc8c7ccn8-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C62H45N3/c1-5-14-46(15-6-1)49-28-36-56(37-29-49)64(54-18-9-3-10-19-54)57-38-30-50(31-39-57)47-24-26-48(27-25-47)51-32-40-58(41-33-51)65(55-20-11-4-12-21-55)59-42-34-52(35-43-59)60-22-13-23-62-61(60)44-45-63(62)53-16-7-2-8-17-53/h1-45H
InChIKeyGBHRSLFUDTVTPX-UHFFFAOYSA-N
MW832.06 g/mol
LogP17.24
Rot. Bonds11

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

N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline (PubChem CID 118601869) has the molecular formula C62H45N3 and a molecular weight of 832.06 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline
PubChem CID118601869
Molecular FormulaC62H45N3
Molecular Weight832.06 g/mol
Exact Mass831.36
IUPAC NameN,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7cccc8c7ccn8-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C62H45N3/c1-5-14-46(15-6-1)49-28-36-56(37-29-49)64(54-18-9-3-10-19-54)57-38-30-50(31-39-57)47-24-26-48(27-25-47)51-32-40-58(41-33-51)65(55-20-11-4-12-21-55)59-42-34-52(35-43-59)60-22-13-23-62-61(60)44-45-63(62)53-16-7-2-8-17-53/h1-45H
InChIKeyGBHRSLFUDTVTPX-UHFFFAOYSA-N
XLogP17.24
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.06
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline;N,4-diphenyl-N-[4-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline;N-(4-naphthalen-2-ylphenyl)-4-[4-[4-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 162135507
N-[4-(3,5-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90270914
N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline
CID 134320769
N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-4-yl)phenyl]aniline
CID 146508462
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
N,9-diphenyl-N-[3-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]carbazol-3-amine
CID 118315481
3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659553
N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline
CID 118315279
4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline
CID 169010334
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline
CID 174245460

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline (CID 118601869) is N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7cccc8c7ccn8-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline?
The InChIKey is GBHRSLFUDTVTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N3/c1-5-14-46(15-6-1)49-28-36-56(37-29-49)64(54-18-9-3-10-19-54)57-38-30-50(31-39-57)47-24-26-48(27-25-47)51-32-40-58(41-33-51)65(55-20-11-4-12-21-55)59-42-34-52(35-43-59)60-22-13-23-62-61(60)44-45-63(62)53-16-7-2-8-17-53/h1-45H.
What are the key properties of N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline?
N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline has a molecular weight of 832.06 g/mol, XLogP of 17.24, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 118601869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).