9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene

C34H30 — CID 140584073

IUPAC9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene
SMILESCC(C)c1cccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4cccc5ccccc45)ccc2-3)c1
InChIInChI=1S/C34H30/c1-22(2)24-11-7-12-25(19-24)26-15-17-30-31-18-16-27(21-33(31)34(3,4)32(30)20-26)29-14-8-10-23-9-5-6-13-28(23)29/h5-22H,1-4H3
InChIKeyQPBACBDIRCIQHX-UHFFFAOYSA-N
MW438.61 g/mol
LogP9.60
Rot. Bonds3

About 9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene

9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene (PubChem CID 140584073) has the molecular formula C34H30 and a molecular weight of 438.61 g/mol. Its IUPAC name is 9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene.

Molecular Properties

Compound Name9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene
PubChem CID140584073
Molecular FormulaC34H30
Molecular Weight438.61 g/mol
Exact Mass438.23
IUPAC Name9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene
SMILESCC(C)c1cccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4cccc5ccccc45)ccc2-3)c1
InChIInChI=1S/C34H30/c1-22(2)24-11-7-12-25(19-24)26-15-17-30-31-18-16-27(21-33(31)34(3,4)32(30)20-26)29-14-8-10-23-9-5-6-13-28(23)29/h5-22H,1-4H3
InChIKeyQPBACBDIRCIQHX-UHFFFAOYSA-N
XLogP9.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
CID 58569211
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
CID 159354982
3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
CID 123377158
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9,10-diphenylanthracene
CID 58251720

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene?
The IUPAC name of 9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene (CID 140584073) is 9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene.
What is the SMILES notation for 9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene?
The canonical SMILES for 9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene is CC(C)c1cccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4cccc5ccccc45)ccc2-3)c1.
What is the InChIKey of 9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene?
The InChIKey is QPBACBDIRCIQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30/c1-22(2)24-11-7-12-25(19-24)26-15-17-30-31-18-16-27(21-33(31)34(3,4)32(30)20-26)29-14-8-10-23-9-5-6-13-28(23)29/h5-22H,1-4H3.
What are the key properties of 9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene?
9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene has a molecular weight of 438.61 g/mol, XLogP of 9.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene is sourced from PubChem (CID 140584073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).