N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine

C46H32N2O2 — CID 138625015

IUPACN,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3c4c(c(N(c5ccccc5)c5ccccc5)c5ccccc35)Oc3ccccc3O4)cc2)cc1
InChIInChI=1S/C46H32N2O2/c1-5-17-34(18-6-1)47(35-19-7-2-8-20-35)38-31-29-33(30-32-38)43-39-25-13-14-26-40(39)44(46-45(43)49-41-27-15-16-28-42(41)50-46)48(36-21-9-3-10-22-36)37-23-11-4-12-24-37/h1-32H
InChIKeyKLLHEMGXEDNRQH-UHFFFAOYSA-N
MW644.77 g/mol
LogP13.34
Rot. Bonds7

About N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine

N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine (PubChem CID 138625015) has the molecular formula C46H32N2O2 and a molecular weight of 644.77 g/mol. Its IUPAC name is N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine.

Molecular Properties

Compound NameN,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine
PubChem CID138625015
Molecular FormulaC46H32N2O2
Molecular Weight644.77 g/mol
Exact Mass644.25
IUPAC NameN,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3c4c(c(N(c5ccccc5)c5ccccc5)c5ccccc35)Oc3ccccc3O4)cc2)cc1
InChIInChI=1S/C46H32N2O2/c1-5-17-34(18-6-1)47(35-19-7-2-8-20-35)38-31-29-33(30-32-38)43-39-25-13-14-26-40(39)44(46-45(43)49-41-27-15-16-28-42(41)50-46)48(36-21-9-3-10-22-36)37-23-11-4-12-24-37/h1-32H
InChIKeyKLLHEMGXEDNRQH-UHFFFAOYSA-N
XLogP13.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.77
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine
CID 138625016
N-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine
CID 138624933
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)phenanthrene-9,10-diamine
CID 22105096
4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 59221804
10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304643
4-[2-[4-[10-[4-[1,2-diphenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anthracen-9-yl]phenyl]-1,2-diphenylethenyl]-N,N-diphenylaniline
CID 72511527
1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983474
4-N-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59221775
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,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine?
The IUPAC name of N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine (CID 138625015) is N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine.
What is the SMILES notation for N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine?
The canonical SMILES for N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine is c1ccc(N(c2ccccc2)c2ccc(-c3c4c(c(N(c5ccccc5)c5ccccc5)c5ccccc35)Oc3ccccc3O4)cc2)cc1.
What is the InChIKey of N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine?
The InChIKey is KLLHEMGXEDNRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O2/c1-5-17-34(18-6-1)47(35-19-7-2-8-20-35)38-31-29-33(30-32-38)43-39-25-13-14-26-40(39)44(46-45(43)49-41-27-15-16-28-42(41)50-46)48(36-21-9-3-10-22-36)37-23-11-4-12-24-37/h1-32H.
What are the key properties of N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine?
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine has a molecular weight of 644.77 g/mol, XLogP of 13.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine is sourced from PubChem (CID 138625015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).