3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene

C46H42 — CID 59782340

IUPAC3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene
SMILESCc1cc2c(cc1-c1ccccc1)C(C)(C)c1cc(-c3cc4c(cc3C)-c3cc(C)c(-c5ccccc5)cc3C4(C)C)c(C)cc1-2
InChIInChI=1S/C46H42/c1-27-19-37-39-21-29(3)35(25-43(39)45(5,6)41(37)23-33(27)31-15-11-9-12-16-31)36-26-44-40(22-30(36)4)38-20-28(2)34(24-42(38)46(44,7)8)32-17-13-10-14-18-32/h9-26H,1-8H3
InChIKeyCBLMXAGHCFCQCJ-UHFFFAOYSA-N
MW594.84 g/mol
LogP12.53
Rot. Bonds3

About 3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene

3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene (PubChem CID 59782340) has the molecular formula C46H42 and a molecular weight of 594.84 g/mol. Its IUPAC name is 3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene.

Molecular Properties

Compound Name3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene
PubChem CID59782340
Molecular FormulaC46H42
Molecular Weight594.84 g/mol
Exact Mass594.33
IUPAC Name3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene
SMILESCc1cc2c(cc1-c1ccccc1)C(C)(C)c1cc(-c3cc4c(cc3C)-c3cc(C)c(-c5ccccc5)cc3C4(C)C)c(C)cc1-2
InChIInChI=1S/C46H42/c1-27-19-37-39-21-29(3)35(25-43(39)45(5,6)41(37)23-33(27)31-15-11-9-12-16-31)36-26-44-40(22-30(36)4)38-20-28(2)34(24-42(38)46(44,7)8)32-17-13-10-14-18-32/h9-26H,1-8H3
InChIKeyCBLMXAGHCFCQCJ-UHFFFAOYSA-N
XLogP12.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.84
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene
CID 59649029
9-(3,6,9,9-tetramethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58905948
2,3,6,7,9,9-hexamethylfluorene
CID 59701923
2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782412
N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221133
N-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155220845
2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
CID 86722507
1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene
CID 59609379
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66721808

Frequently Asked Questions

What is the IUPAC name of 3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene?
The IUPAC name of 3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene (CID 59782340) is 3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene.
What is the SMILES notation for 3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene?
The canonical SMILES for 3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene is Cc1cc2c(cc1-c1ccccc1)C(C)(C)c1cc(-c3cc4c(cc3C)-c3cc(C)c(-c5ccccc5)cc3C4(C)C)c(C)cc1-2.
What is the InChIKey of 3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene?
The InChIKey is CBLMXAGHCFCQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42/c1-27-19-37-39-21-29(3)35(25-43(39)45(5,6)41(37)23-33(27)31-15-11-9-12-16-31)36-26-44-40(22-30(36)4)38-20-28(2)34(24-42(38)46(44,7)8)32-17-13-10-14-18-32/h9-26H,1-8H3.
What are the key properties of 3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene?
3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene has a molecular weight of 594.84 g/mol, XLogP of 12.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene is sourced from PubChem (CID 59782340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).