N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine

C41H29NO — CID 118134128

IUPACN-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine
SMILESc1ccc(N(c2cccc3c2Oc2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C41H29NO/c1-4-18-31(19-5-1)41(32-20-6-2-7-21-32)35-25-12-13-29-39(35)43-40-36(41)26-15-28-38(40)42(33-22-8-3-9-23-33)37-27-14-17-30-16-10-11-24-34(30)37/h1-29H
InChIKeyBDGDXQPSQBKVSS-UHFFFAOYSA-N
MW551.69 g/mol
LogP10.80
Rot. Bonds5

About N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine

N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine (PubChem CID 118134128) has the molecular formula C41H29NO and a molecular weight of 551.69 g/mol. Its IUPAC name is N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine
PubChem CID118134128
Molecular FormulaC41H29NO
Molecular Weight551.69 g/mol
Exact Mass551.22
IUPAC NameN-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine
SMILESc1ccc(N(c2cccc3c2Oc2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C41H29NO/c1-4-18-31(19-5-1)41(32-20-6-2-7-21-32)35-25-12-13-29-39(35)43-40-36(41)26-15-28-38(40)42(33-22-8-3-9-23-33)37-27-14-17-30-16-10-11-24-34(30)37/h1-29H
InChIKeyBDGDXQPSQBKVSS-UHFFFAOYSA-N
XLogP10.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118134188
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 118134260
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
CID 167176862
12,12-dimethyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]anthracene-7,9'-xanthene]-4'-amine
CID 161304661
N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 129230818
N-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-amine
CID 167176973
4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene
CID 155333842
N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118133946
N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine
CID 118134072
N-naphthalen-1-yl-5,5-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2'-amine
CID 148623158
N,N-diphenylnaphthalen-1-amine
CID 11392281
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 118134285

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine?
The IUPAC name of N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine (CID 118134128) is N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine.
What is the SMILES notation for N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine?
The canonical SMILES for N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine is c1ccc(N(c2cccc3c2Oc2ccccc2C3(c2ccccc2)c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine?
The InChIKey is BDGDXQPSQBKVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29NO/c1-4-18-31(19-5-1)41(32-20-6-2-7-21-32)35-25-12-13-29-39(35)43-40-36(41)26-15-28-38(40)42(33-22-8-3-9-23-33)37-27-14-17-30-16-10-11-24-34(30)37/h1-29H.
What are the key properties of N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine?
N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine has a molecular weight of 551.69 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine is sourced from PubChem (CID 118134128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).