N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine

C47H33NO — CID 118134188

IUPACN-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C47H33NO/c1-4-18-36(19-5-1)47(37-20-6-2-7-21-37)42-26-12-13-29-45(42)49-46-41(25-15-27-43(46)47)35-30-32-39(33-31-35)48(38-22-8-3-9-23-38)44-28-14-17-34-16-10-11-24-40(34)44/h1-33H
InChIKeyYVMQTTQLBZPGHP-UHFFFAOYSA-N
MW627.79 g/mol
LogP12.47
Rot. Bonds6

About N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine

N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 118134188) has the molecular formula C47H33NO and a molecular weight of 627.79 g/mol. Its IUPAC name is N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
PubChem CID118134188
Molecular FormulaC47H33NO
Molecular Weight627.79 g/mol
Exact Mass627.26
IUPAC NameN-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C47H33NO/c1-4-18-36(19-5-1)47(37-20-6-2-7-21-37)42-26-12-13-29-45(42)49-46-41(25-15-27-43(46)47)35-30-32-39(33-31-35)48(38-22-8-3-9-23-38)44-28-14-17-34-16-10-11-24-40(34)44/h1-33H
InChIKeyYVMQTTQLBZPGHP-UHFFFAOYSA-N
XLogP12.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
CID 167176862
N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118133946
N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine
CID 118134128
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 118134260
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 118134285
2-phenyl-N-(4-phenylphenyl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 90153719
N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine
CID 129230904
N-(4-naphthalen-1-ylphenyl)-N-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]naphthalen-1-amine
CID 129230919
N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine
CID 118134072
N,N-bis(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]naphthalen-1-amine
CID 157395516
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 142481230
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;4-(9,9-dimethylxanthen-4-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-(7,9,9-triphenylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 158645272

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine (CID 118134188) is N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is YVMQTTQLBZPGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NO/c1-4-18-36(19-5-1)47(37-20-6-2-7-21-37)42-26-12-13-29-45(42)49-46-41(25-15-27-43(46)47)35-30-32-39(33-31-35)48(38-22-8-3-9-23-38)44-28-14-17-34-16-10-11-24-40(34)44/h1-33H.
What are the key properties of N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine?
N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 627.79 g/mol, XLogP of 12.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 118134188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).