2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene

C42H34O2 — CID 70935966

IUPAC2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2Oc2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3O4)cc21
InChIInChI=1S/C42H34O2/c1-41(2)33-23-29(27-11-7-5-8-12-27)15-19-37(33)43-39-21-17-31(25-35(39)41)32-18-22-40-36(26-32)42(3,4)34-24-30(16-20-38(34)44-40)28-13-9-6-10-14-28/h5-26H,1-4H3
InChIKeyIHHHFKYTZYHWJF-UHFFFAOYSA-N
MW570.73 g/mol
LogP11.55
Rot. Bonds3

About 2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene

2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene (PubChem CID 70935966) has the molecular formula C42H34O2 and a molecular weight of 570.73 g/mol. Its IUPAC name is 2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene.

Molecular Properties

Compound Name2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene
PubChem CID70935966
Molecular FormulaC42H34O2
Molecular Weight570.73 g/mol
Exact Mass570.26
IUPAC Name2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2Oc2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3O4)cc21
InChIInChI=1S/C42H34O2/c1-41(2)33-23-29(27-11-7-5-8-12-27)15-19-37(33)43-39-21-17-31(25-35(39)41)32-18-22-40-36(26-32)42(3,4)34-24-30(16-20-38(34)44-40)28-13-9-6-10-14-28/h5-26H,1-4H3
InChIKeyIHHHFKYTZYHWJF-UHFFFAOYSA-N
XLogP11.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.73
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-[4-(N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 90365627
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118134290
3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole
CID 70935948
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
CID 166569822
CID 166569822
2-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylquinazoline
CID 166908596
N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 90365679
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 90365672
2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163787598
3-(3-bromo-5-phenylphenyl)-9,9-dimethylxanthene
CID 166679254

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene?
The IUPAC name of 2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene (CID 70935966) is 2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene.
What is the SMILES notation for 2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene?
The canonical SMILES for 2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene is CC1(C)c2cc(-c3ccccc3)ccc2Oc2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3O4)cc21.
What is the InChIKey of 2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene?
The InChIKey is IHHHFKYTZYHWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34O2/c1-41(2)33-23-29(27-11-7-5-8-12-27)15-19-37(33)43-39-21-17-31(25-35(39)41)32-18-22-40-36(26-32)42(3,4)34-24-30(16-20-38(34)44-40)28-13-9-6-10-14-28/h5-26H,1-4H3.
What are the key properties of 2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene?
2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene has a molecular weight of 570.73 g/mol, XLogP of 11.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene is sourced from PubChem (CID 70935966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).