5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole

C54H46N2 — CID 71016755

IUPAC5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole
SMILESCc1ccc(-c2cc3cc4c(cc(-c5ccc(C)cc5)n4-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3n2-c2ccc3c(c2)C(C)(C)C2=C3CCC=C2)cc1
InChIInChI=1S/C54H46N2/c1-33-15-19-35(20-16-33)49-27-37-29-52-38(30-51(37)55(49)39-23-25-43-41-11-7-9-13-45(41)53(3,4)47(43)31-39)28-50(36-21-17-34(2)18-22-36)56(52)40-24-26-44-42-12-8-10-14-46(42)54(5,6)48(44)32-40/h7,9-11,13-32H,8,12H2,1-6H3
InChIKeyMHGHJTUOOCFKNN-UHFFFAOYSA-N
MW722.98 g/mol
LogP14.23
Rot. Bonds4

About 5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole

5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole (PubChem CID 71016755) has the molecular formula C54H46N2 and a molecular weight of 722.98 g/mol. Its IUPAC name is 5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole.

Molecular Properties

Compound Name5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole
PubChem CID71016755
Molecular FormulaC54H46N2
Molecular Weight722.98 g/mol
Exact Mass722.37
IUPAC Name5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole
SMILESCc1ccc(-c2cc3cc4c(cc(-c5ccc(C)cc5)n4-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3n2-c2ccc3c(c2)C(C)(C)C2=C3CCC=C2)cc1
InChIInChI=1S/C54H46N2/c1-33-15-19-35(20-16-33)49-27-37-29-52-38(30-51(37)55(49)39-23-25-43-41-11-7-9-13-45(41)53(3,4)47(43)31-39)28-50(36-21-17-34(2)18-22-36)56(52)40-24-26-44-42-12-8-10-14-46(42)54(5,6)48(44)32-40/h7,9-11,13-32H,8,12H2,1-6H3
InChIKeyMHGHJTUOOCFKNN-UHFFFAOYSA-N
XLogP14.23
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.98
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole
CID 71229871
7,9,9-trimethyl-3,4-dihydrofluorene
CID 143620437
N-[4-[5-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)phenyl]-2,6-bis(4-fluorophenyl)pyrrolo[2,3-f]indol-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 88882512
6,9,9-trimethyl-3,4-dihydrofluorene
CID 144639578
5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 89065475
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole
CID 58489457
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
2-[3-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 145377613
9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 118475067
5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole
CID 145080103

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole?
The IUPAC name of 5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole (CID 71016755) is 5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole.
What is the SMILES notation for 5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole?
The canonical SMILES for 5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole is Cc1ccc(-c2cc3cc4c(cc(-c5ccc(C)cc5)n4-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3n2-c2ccc3c(c2)C(C)(C)C2=C3CCC=C2)cc1.
What is the InChIKey of 5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole?
The InChIKey is MHGHJTUOOCFKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46N2/c1-33-15-19-35(20-16-33)49-27-37-29-52-38(30-51(37)55(49)39-23-25-43-41-11-7-9-13-45(41)53(3,4)47(43)31-39)28-50(36-21-17-34(2)18-22-36)56(52)40-24-26-44-42-12-8-10-14-46(42)54(5,6)48(44)32-40/h7,9-11,13-32H,8,12H2,1-6H3.
What are the key properties of 5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole?
5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole has a molecular weight of 722.98 g/mol, XLogP of 14.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole is sourced from PubChem (CID 71016755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).