N-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C58H46N2 — CID 90215962

IUPACN-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2N(c2cccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c3)c2)C1c1ccccc1
InChIInChI=1S/C58H46N2/c1-58(2)55-26-12-13-27-56(55)60(57(58)47-20-10-5-11-21-47)54-25-15-24-50(41-54)49-23-14-22-48(40-49)46-32-38-53(39-33-46)59(51-34-28-44(29-35-51)42-16-6-3-7-17-42)52-36-30-45(31-37-52)43-18-8-4-9-19-43/h3-41,57H,1-2H3
InChIKeyQCEDXMFKQKIYMF-UHFFFAOYSA-N
MW771.02 g/mol
LogP15.99
Rot. Bonds9

About N-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 90215962) has the molecular formula C58H46N2 and a molecular weight of 771.02 g/mol. Its IUPAC name is N-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID90215962
Molecular FormulaC58H46N2
Molecular Weight771.02 g/mol
Exact Mass770.37
IUPAC NameN-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2N(c2cccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c3)c2)C1c1ccccc1
InChIInChI=1S/C58H46N2/c1-58(2)55-26-12-13-27-56(55)60(57(58)47-20-10-5-11-21-47)54-25-15-24-50(41-54)49-23-14-22-48(40-49)46-32-38-53(39-33-46)59(51-34-28-44(29-35-51)42-16-6-3-7-17-42)52-36-30-45(31-37-52)43-18-8-4-9-19-43/h3-41,57H,1-2H3
InChIKeyQCEDXMFKQKIYMF-UHFFFAOYSA-N
XLogP15.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.02
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
6-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)-N,N-diphenylpyren-1-amine
CID 90054753
N-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 146523029
N-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 137397109
ethane;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158849032
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
CID 58672379
4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134370557
4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118314823
N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 90215962) is N-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2N(c2cccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c3)c2)C1c1ccccc1.
What is the InChIKey of N-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is QCEDXMFKQKIYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2/c1-58(2)55-26-12-13-27-56(55)60(57(58)47-20-10-5-11-21-47)54-25-15-24-50(41-54)49-23-14-22-48(40-49)46-32-38-53(39-33-46)59(51-34-28-44(29-35-51)42-16-6-3-7-17-42)52-36-30-45(31-37-52)43-18-8-4-9-19-43/h3-41,57H,1-2H3.
What are the key properties of N-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 771.02 g/mol, XLogP of 15.99, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[3-(3,3-dimethyl-2-phenyl-2H-indol-1-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 90215962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).