9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene

C40H34O — CID 144578215

IUPAC9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene
SMILESCC1(C)c2ccccc2Oc2c(-c3ccc(C(CCc4cccc5ccccc45)c4ccccc4)cc3)cccc21
InChIInChI=1S/C40H34O/c1-40(2)36-19-8-9-21-38(36)41-39-35(18-11-20-37(39)40)32-24-22-31(23-25-32)34(28-12-4-3-5-13-28)27-26-30-16-10-15-29-14-6-7-17-33(29)30/h3-25,34H,26-27H2,1-2H3
InChIKeyMPQBMSZGANNHQU-UHFFFAOYSA-N
MW530.71 g/mol
LogP10.70
Rot. Bonds6

About 9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene

9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene (PubChem CID 144578215) has the molecular formula C40H34O and a molecular weight of 530.71 g/mol. Its IUPAC name is 9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene.

Molecular Properties

Compound Name9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene
PubChem CID144578215
Molecular FormulaC40H34O
Molecular Weight530.71 g/mol
Exact Mass530.26
IUPAC Name9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene
SMILESCC1(C)c2ccccc2Oc2c(-c3ccc(C(CCc4cccc5ccccc45)c4ccccc4)cc3)cccc21
InChIInChI=1S/C40H34O/c1-40(2)36-19-8-9-21-38(36)41-39-35(18-11-20-37(39)40)32-24-22-31(23-25-32)34(28-12-4-3-5-13-28)27-26-30-16-10-15-29-14-6-7-17-33(29)30/h3-25,34H,26-27H2,1-2H3
InChIKeyMPQBMSZGANNHQU-UHFFFAOYSA-N
XLogP10.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.71
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118133946
4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene]
CID 123642938
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-phenylaniline
CID 90365671
4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 90365685
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 90365643
4-[4-(9,9-dimethylxanthen-4-yl)phenyl]-2-phenylquinazoline
CID 166908672
N-(4-dibenzo-p-dioxin-1-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylxanthen-4-amine
CID 118134072
4-[8-(9,9-dimethylxanthen-4-yl)-10-(4,5-dinaphthalen-1-ylanthracen-9-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333841
bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158922186
4-[8-(9,9-dimethylxanthen-4-yl)-10-naphthalen-1-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 142384701
4-[8-(9,9-dimethylxanthen-4-yl)-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155334577
4-[10-anthracen-2-yl-8-(9,9-dimethylxanthen-4-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333253

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene?
The IUPAC name of 9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene (CID 144578215) is 9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene.
What is the SMILES notation for 9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene?
The canonical SMILES for 9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene is CC1(C)c2ccccc2Oc2c(-c3ccc(C(CCc4cccc5ccccc45)c4ccccc4)cc3)cccc21.
What is the InChIKey of 9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene?
The InChIKey is MPQBMSZGANNHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34O/c1-40(2)36-19-8-9-21-38(36)41-39-35(18-11-20-37(39)40)32-24-22-31(23-25-32)34(28-12-4-3-5-13-28)27-26-30-16-10-15-29-14-6-7-17-33(29)30/h3-25,34H,26-27H2,1-2H3.
What are the key properties of 9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene?
9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene has a molecular weight of 530.71 g/mol, XLogP of 10.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene is sourced from PubChem (CID 144578215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).