2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline

C30H31N — CID 126615875

IUPAC2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline
SMILESCCC(C)(CC)c1cc2c(cc1-c1ccc3ccccc3n1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C30H31N/c1-6-30(5,7-2)26-18-22-21-13-9-10-14-24(21)29(3,4)25(22)19-23(26)28-17-16-20-12-8-11-15-27(20)31-28/h8-19H,6-7H2,1-5H3
InChIKeyRICZZVWQKCRTDU-UHFFFAOYSA-N
MW405.59 g/mol
LogP8.29
Rot. Bonds4

About 2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline

2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline (PubChem CID 126615875) has the molecular formula C30H31N and a molecular weight of 405.59 g/mol. Its IUPAC name is 2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline.

Molecular Properties

Compound Name2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline
PubChem CID126615875
Molecular FormulaC30H31N
Molecular Weight405.59 g/mol
Exact Mass405.25
IUPAC Name2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline
SMILESCCC(C)(CC)c1cc2c(cc1-c1ccc3ccccc3n1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C30H31N/c1-6-30(5,7-2)26-18-22-21-13-9-10-14-24(21)29(3,4)25(22)19-23(26)28-17-16-20-12-8-11-15-27(20)31-28/h8-19H,6-7H2,1-5H3
InChIKeyRICZZVWQKCRTDU-UHFFFAOYSA-N
XLogP8.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]-2-ethylisoquinolin-2-ium
CID 123815382
2-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)quinoline
CID 138573520
2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine
CID 59747284
2,6-bis(9,9-dimethylfluoren-2-yl)-4-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958731
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]quinoline
CID 59195716
bis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);iridium(3+);pentane-2,4-dione
CID 172907496
iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline
CID 177115881
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;ethane
CID 90782904
5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine
CID 59747274
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
CID 140710753
2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine
CID 155623955
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline
CID 168797147

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline?
The IUPAC name of 2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline (CID 126615875) is 2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline.
What is the SMILES notation for 2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline?
The canonical SMILES for 2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline is CCC(C)(CC)c1cc2c(cc1-c1ccc3ccccc3n1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline?
The InChIKey is RICZZVWQKCRTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N/c1-6-30(5,7-2)26-18-22-21-13-9-10-14-24(21)29(3,4)25(22)19-23(26)28-17-16-20-12-8-11-15-27(20)31-28/h8-19H,6-7H2,1-5H3.
What are the key properties of 2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline?
2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline has a molecular weight of 405.59 g/mol, XLogP of 8.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-dimethyl-3-(3-methylpentan-3-yl)fluoren-2-yl]quinoline is sourced from PubChem (CID 126615875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).