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4-(2,6-dimethylphenyl)-2-(9,9-dipropylfluoren-2-yl)quinazoline

C35H34N2 — CID 155623878

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(2,6-dimethylphenyl)-2-(9,9-dipropylfluoren-2-yl)quinazoline
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3nc(-c4c(C)cccc4C)c4ccccc4n3)cc21
InChIInChI=1S/C35H34N2/c1-5-20-35(21-6-2)29-16-9-7-14-26(29)27-19-18-25(22-30(27)35)34-36-31-17-10-8-15-28(31)33(37-34)32-23(3)12-11-13-24(32)4/h7-19,22H,5-6,20-21H2,1-4H3
InChIKeyYNJZLIPZUKVPGY-UHFFFAOYSA-N
MW482.67 g/mol
LogP9.45
Rot. Bonds6

About 4-(2,6-dimethylphenyl)-2-(9,9-dipropylfluoren-2-yl)quinazoline

4-(2,6-dimethylphenyl)-2-(9,9-dipropylfluoren-2-yl)quinazoline (PubChem CID 155623878) has the molecular formula C35H34N2 and a molecular weight of 482.67 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-2-(9,9-dipropylfluoren-2-yl)quinazoline.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-2-(9,9-dipropylfluoren-2-yl)quinazoline
PubChem CID155623878
Molecular FormulaC35H34N2
Molecular Weight482.67 g/mol
Exact Mass482.27
IUPAC Name4-(2,6-dimethylphenyl)-2-(9,9-dipropylfluoren-2-yl)quinazoline
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3nc(-c4c(C)cccc4C)c4ccccc4n3)cc21
InChIInChI=1S/C35H34N2/c1-5-20-35(21-6-2)29-16-9-7-14-26(29)27-19-18-25(22-30(27)35)34-36-31-17-10-8-15-28(31)33(37-34)32-23(3)12-11-13-24(32)4/h7-19,22H,5-6,20-21H2,1-4H3
InChIKeyYNJZLIPZUKVPGY-UHFFFAOYSA-N
XLogP9.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-2-(9,9-dipropylfluoren-2-yl)quinazoline?
The IUPAC name of 4-(2,6-dimethylphenyl)-2-(9,9-dipropylfluoren-2-yl)quinazoline (CID 155623878) is 4-(2,6-dimethylphenyl)-2-(9,9-dipropylfluoren-2-yl)quinazoline.
What is the SMILES notation for 4-(2,6-dimethylphenyl)-2-(9,9-dipropylfluoren-2-yl)quinazoline?
The canonical SMILES for 4-(2,6-dimethylphenyl)-2-(9,9-dipropylfluoren-2-yl)quinazoline is CCCC1(CCC)c2ccccc2-c2ccc(-c3nc(-c4c(C)cccc4C)c4ccccc4n3)cc21.
What is the InChIKey of 4-(2,6-dimethylphenyl)-2-(9,9-dipropylfluoren-2-yl)quinazoline?
The InChIKey is YNJZLIPZUKVPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2/c1-5-20-35(21-6-2)29-16-9-7-14-26(29)27-19-18-25(22-30(27)35)34-36-31-17-10-8-15-28(31)33(37-34)32-23(3)12-11-13-24(32)4/h7-19,22H,5-6,20-21H2,1-4H3.
What are the key properties of 4-(2,6-dimethylphenyl)-2-(9,9-dipropylfluoren-2-yl)quinazoline?
4-(2,6-dimethylphenyl)-2-(9,9-dipropylfluoren-2-yl)quinazoline has a molecular weight of 482.67 g/mol, XLogP of 9.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-2-(9,9-dipropylfluoren-2-yl)quinazoline is sourced from PubChem (CID 155623878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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