9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene

C44H36 — CID 140710796

IUPAC9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene
SMILESCC(C)c1cc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)c1
InChIInChI=1S/C44H36/c1-28(2)37-24-38(26-39(25-37)36-19-20-41-40-11-7-8-12-42(40)44(3,4)43(41)27-36)35-18-17-33-22-32(15-16-34(33)23-35)31-14-13-29-9-5-6-10-30(29)21-31/h5-28H,1-4H3
InChIKeyDERVMYDJFWCWNO-UHFFFAOYSA-N
MW564.77 g/mol
LogP12.42
Rot. Bonds4

About 9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene

9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene (PubChem CID 140710796) has the molecular formula C44H36 and a molecular weight of 564.77 g/mol. Its IUPAC name is 9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene.

Molecular Properties

Compound Name9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene
PubChem CID140710796
Molecular FormulaC44H36
Molecular Weight564.77 g/mol
Exact Mass564.28
IUPAC Name9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene
SMILESCC(C)c1cc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)c1
InChIInChI=1S/C44H36/c1-28(2)37-24-38(26-39(25-37)36-19-20-41-40-11-7-8-12-42(40)44(3,4)43(41)27-36)35-18-17-33-22-32(15-16-34(33)23-35)31-14-13-29-9-5-6-10-30(29)21-31/h5-28H,1-4H3
InChIKeyDERVMYDJFWCWNO-UHFFFAOYSA-N
XLogP12.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.77
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

11,11,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[2,1-a]fluorene
CID 140710806
7,7,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]indeno[1,2-c]fluorene
CID 140710817
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-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427115
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-2-yl)-4-naphthalen-2-yl-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176588450
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-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene?
The IUPAC name of 9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene (CID 140710796) is 9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene.
What is the SMILES notation for 9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene?
The canonical SMILES for 9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene is CC(C)c1cc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)c1.
What is the InChIKey of 9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene?
The InChIKey is DERVMYDJFWCWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36/c1-28(2)37-24-38(26-39(25-37)36-19-20-41-40-11-7-8-12-42(40)44(3,4)43(41)27-36)35-18-17-33-22-32(15-16-34(33)23-35)31-14-13-29-9-5-6-10-30(29)21-31/h5-28H,1-4H3.
What are the key properties of 9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene?
9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene has a molecular weight of 564.77 g/mol, XLogP of 12.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene is sourced from PubChem (CID 140710796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).