N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline

C65H45N — CID 143566974

IUPACN-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline
SMILESCc1cccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5c(-c5cccc(N(c6ccccc6)c6cccc(-c7ccccc7)c6)c5)c5ccccc45)c3)c3ccccc23)c1
InChIInChI=1S/C65H45N/c1-44-20-16-24-47(40-44)62-54-32-8-10-34-56(54)63(57-35-11-9-33-55(57)62)48-25-17-26-49(41-48)64-58-36-12-14-38-60(58)65(61-39-15-13-37-59(61)64)50-27-19-31-53(43-50)66(51-28-6-3-7-29-51)52-30-18-23-46(42-52)45-21-4-2-5-22-45/h2-43H,1H3
InChIKeyJPMPHQXCHSVNBR-UHFFFAOYSA-N
MW840.08 g/mol
LogP18.41
Rot. Bonds8

About N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline

N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline (PubChem CID 143566974) has the molecular formula C65H45N and a molecular weight of 840.08 g/mol. Its IUPAC name is N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline.

Molecular Properties

Compound NameN-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline
PubChem CID143566974
Molecular FormulaC65H45N
Molecular Weight840.08 g/mol
Exact Mass839.36
IUPAC NameN-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline
SMILESCc1cccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5c(-c5cccc(N(c6ccccc6)c6cccc(-c7ccccc7)c6)c5)c5ccccc45)c3)c3ccccc23)c1
InChIInChI=1S/C65H45N/c1-44-20-16-24-47(40-44)62-54-32-8-10-34-56(54)63(57-35-11-9-33-55(57)62)48-25-17-26-49(41-48)64-58-36-12-14-38-60(58)65(61-39-15-13-37-59(61)64)50-27-19-31-53(43-50)66(51-28-6-3-7-29-51)52-30-18-23-46(42-52)45-21-4-2-5-22-45/h2-43H,1H3
InChIKeyJPMPHQXCHSVNBR-UHFFFAOYSA-N
XLogP18.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.08
LogP ≤ 518.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline
CID 142004488
N,3-diphenyl-N-[3-[10-[3-[10-[3-(N-(3-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]aniline
CID 59194316
N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene
CID 143567044
ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143650300
N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline
CID 59194325
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229
5-[4-[10-[10-[4-[3,5-bis(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)benzene-1,3-diamine
CID 89273645
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331

Frequently Asked Questions

What is the IUPAC name of N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline?
The IUPAC name of N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline (CID 143566974) is N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline.
What is the SMILES notation for N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline?
The canonical SMILES for N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline is Cc1cccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5c(-c5cccc(N(c6ccccc6)c6cccc(-c7ccccc7)c6)c5)c5ccccc45)c3)c3ccccc23)c1.
What is the InChIKey of N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline?
The InChIKey is JPMPHQXCHSVNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N/c1-44-20-16-24-47(40-44)62-54-32-8-10-34-56(54)63(57-35-11-9-33-55(57)62)48-25-17-26-49(41-48)64-58-36-12-14-38-60(58)65(61-39-15-13-37-59(61)64)50-27-19-31-53(43-50)66(51-28-6-3-7-29-51)52-30-18-23-46(42-52)45-21-4-2-5-22-45/h2-43H,1H3.
What are the key properties of N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline?
N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline has a molecular weight of 840.08 g/mol, XLogP of 18.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline is sourced from PubChem (CID 143566974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).