1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene

C45H36O — CID 170029419

IUPAC1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene
SMILESCC1(c2ccc3c(c2)C(C)(C)c2ccc4ccccc4c2-3)CC=CC2=C1C(c1ccccc1)(c1ccccc1)c1ccccc1O2
InChIInChI=1S/C45H36O/c1-43(2)37-27-24-30-15-10-11-20-34(30)41(37)35-26-25-33(29-38(35)43)44(3)28-14-23-40-42(44)45(31-16-6-4-7-17-31,32-18-8-5-9-19-32)36-21-12-13-22-39(36)46-40/h4-27,29H,28H2,1-3H3
InChIKeyMQCQPWHQFUNJBH-UHFFFAOYSA-N
MW592.78 g/mol
LogP11.04
Rot. Bonds3

About 1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene

1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene (PubChem CID 170029419) has the molecular formula C45H36O and a molecular weight of 592.78 g/mol. Its IUPAC name is 1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene.

Molecular Properties

Compound Name1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene
PubChem CID170029419
Molecular FormulaC45H36O
Molecular Weight592.78 g/mol
Exact Mass592.28
IUPAC Name1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene
SMILESCC1(c2ccc3c(c2)C(C)(C)c2ccc4ccccc4c2-3)CC=CC2=C1C(c1ccccc1)(c1ccccc1)c1ccccc1O2
InChIInChI=1S/C45H36O/c1-43(2)37-27-24-30-15-10-11-20-34(30)41(37)35-26-25-33(29-38(35)43)44(3)28-14-23-40-42(44)45(31-16-6-4-7-17-31,32-18-8-5-9-19-32)36-21-12-13-22-39(36)46-40/h4-27,29H,28H2,1-3H3
InChIKeyMQCQPWHQFUNJBH-UHFFFAOYSA-N
XLogP11.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.78
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170029425
9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene
CID 170023814
2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881
N,N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90272762
7,7-dimethylbenzo[g]fluoren-9-amine
CID 90277897
7,7-dimethylbenzo[c]fluorene;hydroiodide
CID 144938625
7,7-dimethylbenzo[c]fluorene;ethane
CID 90712910
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 164730839
9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170017292
5,5,19,19-tetramethylnonacyclo[18.16.0.02,18.04,16.06,15.09,14.023,36.024,33.025,30]hexatriaconta-1(20),2(18),3,6(15),7,9,11,13,16,21,23(36),24(33),25,27,29,31,34-heptadecaene
CID 58261583
2-(7,7-diphenylbenzo[g]fluoren-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123985149
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[3-[4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 170256279

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene?
The IUPAC name of 1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene (CID 170029419) is 1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene.
What is the SMILES notation for 1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene?
The canonical SMILES for 1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene is CC1(c2ccc3c(c2)C(C)(C)c2ccc4ccccc4c2-3)CC=CC2=C1C(c1ccccc1)(c1ccccc1)c1ccccc1O2.
What is the InChIKey of 1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene?
The InChIKey is MQCQPWHQFUNJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36O/c1-43(2)37-27-24-30-15-10-11-20-34(30)41(37)35-26-25-33(29-38(35)43)44(3)28-14-23-40-42(44)45(31-16-6-4-7-17-31,32-18-8-5-9-19-32)36-21-12-13-22-39(36)46-40/h4-27,29H,28H2,1-3H3.
What are the key properties of 1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene?
1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene has a molecular weight of 592.78 g/mol, XLogP of 11.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene is sourced from PubChem (CID 170029419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).