7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene

C43H48 — CID 140661825

IUPAC7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene
SMILESCCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(C)ccc3-c3c2cc(C)c2ccccc32)cc1
InChIInChI=1S/C43H48/c1-5-7-9-11-15-33-20-24-35(25-21-33)43(36-26-22-34(23-27-36)16-12-10-8-6-2)40-29-31(3)19-28-39(40)42-38-18-14-13-17-37(38)32(4)30-41(42)43/h13-14,17-30H,5-12,15-16H2,1-4H3
InChIKeyRYXPRRNSZZMXBA-UHFFFAOYSA-N
MW564.86 g/mol
LogP12.07
Rot. Bonds12

About 7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene

7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene (PubChem CID 140661825) has the molecular formula C43H48 and a molecular weight of 564.86 g/mol. Its IUPAC name is 7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene.

Molecular Properties

Compound Name7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene
PubChem CID140661825
Molecular FormulaC43H48
Molecular Weight564.86 g/mol
Exact Mass564.38
IUPAC Name7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene
SMILESCCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(C)ccc3-c3c2cc(C)c2ccccc32)cc1
InChIInChI=1S/C43H48/c1-5-7-9-11-15-33-20-24-35(25-21-33)43(36-26-22-34(23-27-36)16-12-10-8-6-2)40-29-31(3)19-28-39(40)42-38-18-14-13-17-37(38)32(4)30-41(42)43/h13-14,17-30H,5-12,15-16H2,1-4H3
InChIKeyRYXPRRNSZZMXBA-UHFFFAOYSA-N
XLogP12.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.86
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene 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

1,4-dihexyl-2,5-dimethylbenzene;2,7-dimethyl-9,9-bis(4-octylphenyl)fluorene
CID 159632047
12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetrakis(4-methylphenyl)-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;5,7,7,9-tetramethylbenzo[c]fluorene;2,7,9,9-tetramethylfluorene
CID 160887945
9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene
CID 163597149
11,11-bis(4-hexylphenyl)-3,9-dimethylbenzo[a]fluorene
CID 140661819
9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene
CID 158736272
7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene
CID 158033526
N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
CID 177067093
4-methyl-N-(4-methylphenyl)-N-[4-[9,19,22,22-tetramethyl-12-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-12-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl]phenyl]aniline
CID 90244035
2,8-dimethyl-12,12-dioctyl-6,6-bis(4-octylphenyl)indeno[1,2-b]fluorene;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 91342827
2,4-bis(4-tert-butylphenyl)-6-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-1,3,5-triazine
CID 58412099
2-[9,9-bis(4-hexylphenyl)-7-methylfluoren-2-yl]-9,9-bis(3-hexylphenyl)-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
CID 140591814
1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
CID 59480577

Frequently Asked Questions

What is the IUPAC name of 7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene?
The IUPAC name of 7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene (CID 140661825) is 7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene.
What is the SMILES notation for 7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene?
The canonical SMILES for 7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene is CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(C)ccc3-c3c2cc(C)c2ccccc32)cc1.
What is the InChIKey of 7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene?
The InChIKey is RYXPRRNSZZMXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48/c1-5-7-9-11-15-33-20-24-35(25-21-33)43(36-26-22-34(23-27-36)16-12-10-8-6-2)40-29-31(3)19-28-39(40)42-38-18-14-13-17-37(38)32(4)30-41(42)43/h13-14,17-30H,5-12,15-16H2,1-4H3.
What are the key properties of 7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene?
7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene has a molecular weight of 564.86 g/mol, XLogP of 12.07, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene is sourced from PubChem (CID 140661825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).