6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran

C44H36O — CID 66687004

IUPAC6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
SMILESCc1cc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2oc3c(C4CCCCC4)cccc3c2c1
InChIInChI=1S/C44H36O/c1-29-27-38(43-39(28-29)37-20-12-19-34(42(37)45-43)30-13-4-2-5-14-30)31-23-25-33(26-24-31)44(32-15-6-3-7-16-32)40-21-10-8-17-35(40)36-18-9-11-22-41(36)44/h3,6-12,15-28,30H,2,4-5,13-14H2,1H3
InChIKeyKPLYEUALUGNLFH-UHFFFAOYSA-N
MW580.77 g/mol
LogP11.97
Rot. Bonds4

About 6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran

6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran (PubChem CID 66687004) has the molecular formula C44H36O and a molecular weight of 580.77 g/mol. Its IUPAC name is 6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
PubChem CID66687004
Molecular FormulaC44H36O
Molecular Weight580.77 g/mol
Exact Mass580.28
IUPAC Name6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
SMILESCc1cc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2oc3c(C4CCCCC4)cccc3c2c1
InChIInChI=1S/C44H36O/c1-29-27-38(43-39(28-29)37-20-12-19-34(42(37)45-43)30-13-4-2-5-14-30)31-23-25-33(26-24-31)44(32-15-6-3-7-16-32)40-21-10-8-17-35(40)36-18-9-11-22-41(36)44/h3,6-12,15-28,30H,2,4-5,13-14H2,1H3
InChIKeyKPLYEUALUGNLFH-UHFFFAOYSA-N
XLogP11.97
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.77
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
CID 159547141
9-N,15-N-bis(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(2,4-dimethylphenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140153
4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
CID 66686164
6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 165082497
6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine
CID 174314025
4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 164724700
4-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]dibenzofuran
CID 122519399
N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 156557066
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170303690
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 170303755
6-cyclohexyl-N-(2,4-dimethylphenyl)-N-methyldibenzofuran-4-amine
CID 138651898
2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361627

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran?
The IUPAC name of 6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran (CID 66687004) is 6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran is Cc1cc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2oc3c(C4CCCCC4)cccc3c2c1.
What is the InChIKey of 6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran?
The InChIKey is KPLYEUALUGNLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36O/c1-29-27-38(43-39(28-29)37-20-12-19-34(42(37)45-43)30-13-4-2-5-14-30)31-23-25-33(26-24-31)44(32-15-6-3-7-16-32)40-21-10-8-17-35(40)36-18-9-11-22-41(36)44/h3,6-12,15-28,30H,2,4-5,13-14H2,1H3.
What are the key properties of 6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran?
6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran has a molecular weight of 580.77 g/mol, XLogP of 11.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-methyl-4-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 66687004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).