8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine

C55H51NO — CID 174314035

IUPAC8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
SMILESCC(C)c1cc(-c2ccc(C(C)(C)C)cc2)cc2c1oc1c(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc12
InChIInChI=1S/C55H51NO/c1-33(2)44-29-35(34-21-23-36(24-22-34)53(3,4)5)30-45-43-17-14-20-50(52(43)57-51(44)45)56(37-25-27-41-39-15-10-12-18-46(39)54(6,7)48(41)31-37)38-26-28-42-40-16-11-13-19-47(40)55(8,9)49(42)32-38/h10-33H,1-9H3
InChIKeyPIHBJWCFCPKJSB-UHFFFAOYSA-N
MW742.02 g/mol
LogP15.76
Rot. Bonds5

About 8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine

8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine (PubChem CID 174314035) has the molecular formula C55H51NO and a molecular weight of 742.02 g/mol. Its IUPAC name is 8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine.

Molecular Properties

Compound Name8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
PubChem CID174314035
Molecular FormulaC55H51NO
Molecular Weight742.02 g/mol
Exact Mass741.40
IUPAC Name8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
SMILESCC(C)c1cc(-c2ccc(C(C)(C)C)cc2)cc2c1oc1c(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc12
InChIInChI=1S/C55H51NO/c1-33(2)44-29-35(34-21-23-36(24-22-34)53(3,4)5)30-45-43-17-14-20-50(52(43)57-51(44)45)56(37-25-27-41-39-15-10-12-18-46(39)54(6,7)48(41)31-37)38-26-28-42-40-16-11-13-19-47(40)55(8,9)49(42)32-38/h10-33H,1-9H3
InChIKeyPIHBJWCFCPKJSB-UHFFFAOYSA-N
XLogP15.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.02
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 174313565
N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
CID 149287713
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121496
7-tert-butyl-N-[5-tert-butyl-2-(6-propan-2-yldibenzofuran-4-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174315841
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 176751175
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine
CID 174312493
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169022015
(5-tert-butyl-9,9-dimethylfluoren-2-yl)-[8-(4-tert-butylphenyl)-6-propan-2-yldibenzofuran-4-yl]-(9,9-dimethylfluoren-2-yl)-methylazanium
CID 174314033
6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751216
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286

Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine?
The IUPAC name of 8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine (CID 174314035) is 8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine.
What is the SMILES notation for 8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine?
The canonical SMILES for 8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine is CC(C)c1cc(-c2ccc(C(C)(C)C)cc2)cc2c1oc1c(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc12.
What is the InChIKey of 8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine?
The InChIKey is PIHBJWCFCPKJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H51NO/c1-33(2)44-29-35(34-21-23-36(24-22-34)53(3,4)5)30-45-43-17-14-20-50(52(43)57-51(44)45)56(37-25-27-41-39-15-10-12-18-46(39)54(6,7)48(41)31-37)38-26-28-42-40-16-11-13-19-47(40)55(8,9)49(42)32-38/h10-33H,1-9H3.
What are the key properties of 8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine?
8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine has a molecular weight of 742.02 g/mol, XLogP of 15.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine is sourced from PubChem (CID 174314035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).