4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine

C62H52N2O — CID 170141282

IUPAC4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine
SMILESCc1ccccc1-c1c(-c2ccc(Nc3ccccc3-c3ccccc3)cc2Nc2ccc(-c3cccc4oc5ccccc5c34)cc2)ccc2c1-c1ccc(C(C)(C)C)cc1C2(C)C
InChIInChI=1S/C62H52N2O/c1-39-17-10-11-20-45(39)59-49(35-36-52-60(59)50-33-29-42(61(2,3)4)37-53(50)62(52,5)6)48-34-32-44(64-54-24-14-12-21-46(54)40-18-8-7-9-19-40)38-55(48)63-43-30-27-41(28-31-43)47-23-16-26-57-58(47)51-22-13-15-25-56(51)65-57/h7-38,63-64H,1-6H3
InChIKeyACBZYVASYCOZNV-UHFFFAOYSA-N
MW841.11 g/mol
LogP17.65
Rot. Bonds8

About 4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine

4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine (PubChem CID 170141282) has the molecular formula C62H52N2O and a molecular weight of 841.11 g/mol. Its IUPAC name is 4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine
PubChem CID170141282
Molecular FormulaC62H52N2O
Molecular Weight841.11 g/mol
Exact Mass840.41
IUPAC Name4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine
SMILESCc1ccccc1-c1c(-c2ccc(Nc3ccccc3-c3ccccc3)cc2Nc2ccc(-c3cccc4oc5ccccc5c34)cc2)ccc2c1-c1ccc(C(C)(C)C)cc1C2(C)C
InChIInChI=1S/C62H52N2O/c1-39-17-10-11-20-45(39)59-49(35-36-52-60(59)50-33-29-42(61(2,3)4)37-53(50)62(52,5)6)48-34-32-44(64-54-24-14-12-21-46(54)40-18-8-7-9-19-40)38-55(48)63-43-30-27-41(28-31-43)47-23-16-26-57-58(47)51-22-13-15-25-56(51)65-57/h7-38,63-64H,1-6H3
InChIKeyACBZYVASYCOZNV-UHFFFAOYSA-N
XLogP17.65
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.11
LogP ≤ 517.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline
CID 170141284
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine
CID 176760037
N-[2-[7-tert-butyl-3-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-4-yl]phenyl]dibenzofuran-4-amine
CID 170141524
N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 168840146
N-(3-dibenzofuran-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298496
5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167484522
N-(4-tert-butylphenyl)-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 146432361
N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 168764863
N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine
CID 172544870
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine
CID 139568225
CID 174132436
CID 174132436
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462

Frequently Asked Questions

What is the IUPAC name of 4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine (CID 170141282) is 4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine is Cc1ccccc1-c1c(-c2ccc(Nc3ccccc3-c3ccccc3)cc2Nc2ccc(-c3cccc4oc5ccccc5c34)cc2)ccc2c1-c1ccc(C(C)(C)C)cc1C2(C)C.
What is the InChIKey of 4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine?
The InChIKey is ACBZYVASYCOZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52N2O/c1-39-17-10-11-20-45(39)59-49(35-36-52-60(59)50-33-29-42(61(2,3)4)37-53(50)62(52,5)6)48-34-32-44(64-54-24-14-12-21-46(54)40-18-8-7-9-19-40)38-55(48)63-43-30-27-41(28-31-43)47-23-16-26-57-58(47)51-22-13-15-25-56(51)65-57/h7-38,63-64H,1-6H3.
What are the key properties of 4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine?
4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine has a molecular weight of 841.11 g/mol, XLogP of 17.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-tert-butyl-9,9-dimethyl-4-(2-methylphenyl)fluoren-3-yl]-3-N-(4-dibenzofuran-1-ylphenyl)-1-N-(2-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 170141282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).