N-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine

C52H34N4O2 — CID 138624933

IUPACN-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine
SMILESc1ccc(N(c2ccc(-c3c4c(c(N(c5ccccc5)c5ccnc6ccccc56)c5ccccc35)Oc3ccccc3O4)cc2)c2ccnc3ccccc23)cc1
InChIInChI=1S/C52H34N4O2/c1-3-15-36(16-4-1)55(45-31-33-53-43-23-11-9-21-41(43)45)38-29-27-35(28-30-38)49-39-19-7-8-20-40(39)50(52-51(49)57-47-25-13-14-26-48(47)58-52)56(37-17-5-2-6-18-37)46-32-34-54-44-24-12-10-22-42(44)46/h1-34H
InChIKeySVNBJJLTGNGDER-UHFFFAOYSA-N
MW746.87 g/mol
LogP14.44
Rot. Bonds7

About N-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine

N-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine (PubChem CID 138624933) has the molecular formula C52H34N4O2 and a molecular weight of 746.87 g/mol. Its IUPAC name is N-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine
PubChem CID138624933
Molecular FormulaC52H34N4O2
Molecular Weight746.87 g/mol
Exact Mass746.27
IUPAC NameN-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine
SMILESc1ccc(N(c2ccc(-c3c4c(c(N(c5ccccc5)c5ccnc6ccccc56)c5ccccc35)Oc3ccccc3O4)cc2)c2ccnc3ccccc23)cc1
InChIInChI=1S/C52H34N4O2/c1-3-15-36(16-4-1)55(45-31-33-53-43-23-11-9-21-41(43)45)38-29-27-35(28-30-38)49-39-19-7-8-20-40(39)50(52-51(49)57-47-25-13-14-26-48(47)58-52)56(37-17-5-2-6-18-37)46-32-34-54-44-24-12-10-22-42(44)46/h1-34H
InChIKeySVNBJJLTGNGDER-UHFFFAOYSA-N
XLogP14.44
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.87
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine with MolForge

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Related Compounds

N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]benzo[b]oxanthren-6-amine
CID 138625015
N-dibenzofuran-3-yl-11-[4-(N-dibenzofuran-3-ylanilino)phenyl]-N-phenylbenzo[b]oxanthren-6-amine
CID 138625016
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 59390587
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine
CID 166861967
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440
N-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine
CID 134387009
N-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine
CID 134386989
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
N-[4-(3,10-diphenyl-16-pentacyclo[10.9.1.02,11.04,9.017,22]docosa-1(21),2,4,6,8,10,12,14,17(22),19-decaenyl)phenyl]-N-phenylquinolin-5-amine
CID 166714278
N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
CID 59390674

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine?
The IUPAC name of N-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine (CID 138624933) is N-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine.
What is the SMILES notation for N-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine?
The canonical SMILES for N-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine is c1ccc(N(c2ccc(-c3c4c(c(N(c5ccccc5)c5ccnc6ccccc56)c5ccccc35)Oc3ccccc3O4)cc2)c2ccnc3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine?
The InChIKey is SVNBJJLTGNGDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4O2/c1-3-15-36(16-4-1)55(45-31-33-53-43-23-11-9-21-41(43)45)38-29-27-35(28-30-38)49-39-19-7-8-20-40(39)50(52-51(49)57-47-25-13-14-26-48(47)58-52)56(37-17-5-2-6-18-37)46-32-34-54-44-24-12-10-22-42(44)46/h1-34H.
What are the key properties of N-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine?
N-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine has a molecular weight of 746.87 g/mol, XLogP of 14.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[6-(N-quinolin-4-ylanilino)benzo[b]oxanthren-11-yl]phenyl]quinolin-4-amine is sourced from PubChem (CID 138624933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).