2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene

C37H30O2 — CID 90394308

IUPAC2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene
SMILESCOc1ccc2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6cc(OC)ccc6c5)ccc3-4)ccc2c1
InChIInChI=1S/C37H30O2/c1-37(2)35-21-29(23-5-7-27-19-31(38-3)13-9-25(27)17-23)11-15-33(35)34-16-12-30(22-36(34)37)24-6-8-28-20-32(39-4)14-10-26(28)18-24/h5-22H,1-4H3
InChIKeyKCIBNVGDPQIDMY-UHFFFAOYSA-N
MW506.65 g/mol
LogP9.65
Rot. Bonds4

About 2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene

2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene (PubChem CID 90394308) has the molecular formula C37H30O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is 2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene
PubChem CID90394308
Molecular FormulaC37H30O2
Molecular Weight506.65 g/mol
Exact Mass506.22
IUPAC Name2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene
SMILESCOc1ccc2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6cc(OC)ccc6c5)ccc3-4)ccc2c1
InChIInChI=1S/C37H30O2/c1-37(2)35-21-29(23-5-7-27-19-31(38-3)13-9-25(27)17-23)11-15-33(35)34-16-12-30(22-36(34)37)24-6-8-28-20-32(39-4)14-10-26(28)18-24/h5-22H,1-4H3
InChIKeyKCIBNVGDPQIDMY-UHFFFAOYSA-N
XLogP9.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-7-[6-(6-methoxynaphthalen-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 90394242
2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858743
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822065
2-(6-ethoxynaphthalen-2-yl)-9,9-dimethylfluorene
CID 134294373
9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene
CID 20822210
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
2-[3-[3,5-bis(9,9-diethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858796

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene?
The IUPAC name of 2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene (CID 90394308) is 2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene.
What is the SMILES notation for 2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene?
The canonical SMILES for 2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene is COc1ccc2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6cc(OC)ccc6c5)ccc3-4)ccc2c1.
What is the InChIKey of 2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene?
The InChIKey is KCIBNVGDPQIDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30O2/c1-37(2)35-21-29(23-5-7-27-19-31(38-3)13-9-25(27)17-23)11-15-33(35)34-16-12-30(22-36(34)37)24-6-8-28-20-32(39-4)14-10-26(28)18-24/h5-22H,1-4H3.
What are the key properties of 2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene?
2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene has a molecular weight of 506.65 g/mol, XLogP of 9.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene is sourced from PubChem (CID 90394308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).