1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole

C39H33N — CID 58489457

IUPAC1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)n2-c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C39H33N/c1-26-9-13-29(14-10-26)37-23-24-38(30-15-11-27(2)12-16-30)40(37)32-20-17-28(18-21-32)31-19-22-34-33-7-5-6-8-35(33)39(3,4)36(34)25-31/h5-25H,1-4H3
InChIKeySSCHGLKTXQWFKI-UHFFFAOYSA-N
MW515.70 g/mol
LogP10.40
Rot. Bonds4

About 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole

1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole (PubChem CID 58489457) has the molecular formula C39H33N and a molecular weight of 515.70 g/mol. Its IUPAC name is 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole.

Molecular Properties

Compound Name1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole
PubChem CID58489457
Molecular FormulaC39H33N
Molecular Weight515.70 g/mol
Exact Mass515.26
IUPAC Name1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)n2-c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C39H33N/c1-26-9-13-29(14-10-26)37-23-24-38(30-15-11-27(2)12-16-30)40(37)32-20-17-28(18-21-32)31-19-22-34-33-7-5-6-8-35(33)39(3,4)36(34)25-31/h5-25H,1-4H3
InChIKeySSCHGLKTXQWFKI-UHFFFAOYSA-N
XLogP10.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.70
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole
CID 159771384
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-N,9-bis(4-methylphenyl)carbazol-3-amine
CID 58383998
1-[9,10-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-2,5-diphenylpyrrole
CID 160767890
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole
CID 143828980
3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole
CID 137401866
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
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
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole
CID 162026936
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole?
The IUPAC name of 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole (CID 58489457) is 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole.
What is the SMILES notation for 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole?
The canonical SMILES for 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole is Cc1ccc(-c2ccc(-c3ccc(C)cc3)n2-c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1.
What is the InChIKey of 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole?
The InChIKey is SSCHGLKTXQWFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N/c1-26-9-13-29(14-10-26)37-23-24-38(30-15-11-27(2)12-16-30)40(37)32-20-17-28(18-21-32)31-19-22-34-33-7-5-6-8-35(33)39(3,4)36(34)25-31/h5-25H,1-4H3.
What are the key properties of 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole?
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole has a molecular weight of 515.70 g/mol, XLogP of 10.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole is sourced from PubChem (CID 58489457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).