N-(3-tert-butyl-4-methylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-ethenyl-2-methyl-1-benzofuran-4-amine

C37H37NO — CID 153369102

IUPACN-(3-tert-butyl-4-methylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-ethenyl-2-methyl-1-benzofuran-4-amine
SMILESC=Cc1c(C)oc2cccc(N(c3ccc(C)c(C(C)(C)C)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c12
InChIInChI=1S/C37H37NO/c1-9-27-24(3)39-34-16-12-15-33(35(27)34)38(25-18-17-23(2)31(21-25)36(4,5)6)26-19-20-29-28-13-10-11-14-30(28)37(7,8)32(29)22-26/h9-22H,1H2,2-8H3
InChIKeyMZSREWUCXSOHOQ-UHFFFAOYSA-N
MW511.71 g/mol
LogP10.77
Rot. Bonds4

About N-(3-tert-butyl-4-methylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-ethenyl-2-methyl-1-benzofuran-4-amine

N-(3-tert-butyl-4-methylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-ethenyl-2-methyl-1-benzofuran-4-amine (PubChem CID 153369102) has the molecular formula C37H37NO and a molecular weight of 511.71 g/mol. Its IUPAC name is N-(3-tert-butyl-4-methylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-ethenyl-2-methyl-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(3-tert-butyl-4-methylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-ethenyl-2-methyl-1-benzofuran-4-amine
PubChem CID153369102
Molecular FormulaC37H37NO
Molecular Weight511.71 g/mol
Exact Mass511.29
IUPAC NameN-(3-tert-butyl-4-methylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-ethenyl-2-methyl-1-benzofuran-4-amine
SMILESC=Cc1c(C)oc2cccc(N(c3ccc(C)c(C(C)(C)C)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c12
InChIInChI=1S/C37H37NO/c1-9-27-24(3)39-34-16-12-15-33(35(27)34)38(25-18-17-23(2)31(21-25)36(4,5)6)26-19-20-29-28-13-10-11-14-30(28)37(7,8)32(29)22-26/h9-22H,1H2,2-8H3
InChIKeyMZSREWUCXSOHOQ-UHFFFAOYSA-N
XLogP10.77
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.71
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312877
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine
CID 176607730
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-amine
CID 170353028
9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 174312490
N-[2-(7-tert-butyl-6,9,9-trimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067906
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(8-methylnaphthalen-1-yl)fluoren-2-amine
CID 174309727
6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751216
2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
CID 176821830
N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
CID 171050058
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
CID 134393187
1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine
CID 176821901
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751207

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-methylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-ethenyl-2-methyl-1-benzofuran-4-amine?
The IUPAC name of N-(3-tert-butyl-4-methylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-ethenyl-2-methyl-1-benzofuran-4-amine (CID 153369102) is N-(3-tert-butyl-4-methylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-ethenyl-2-methyl-1-benzofuran-4-amine.
What is the SMILES notation for N-(3-tert-butyl-4-methylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-ethenyl-2-methyl-1-benzofuran-4-amine?
The canonical SMILES for N-(3-tert-butyl-4-methylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-ethenyl-2-methyl-1-benzofuran-4-amine is C=Cc1c(C)oc2cccc(N(c3ccc(C)c(C(C)(C)C)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c12.
What is the InChIKey of N-(3-tert-butyl-4-methylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-ethenyl-2-methyl-1-benzofuran-4-amine?
The InChIKey is MZSREWUCXSOHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37NO/c1-9-27-24(3)39-34-16-12-15-33(35(27)34)38(25-18-17-23(2)31(21-25)36(4,5)6)26-19-20-29-28-13-10-11-14-30(28)37(7,8)32(29)22-26/h9-22H,1H2,2-8H3.
What are the key properties of N-(3-tert-butyl-4-methylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-ethenyl-2-methyl-1-benzofuran-4-amine?
N-(3-tert-butyl-4-methylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-ethenyl-2-methyl-1-benzofuran-4-amine has a molecular weight of 511.71 g/mol, XLogP of 10.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-methylphenyl)-N-(9,9-dimethylfluoren-2-yl)-3-ethenyl-2-methyl-1-benzofuran-4-amine is sourced from PubChem (CID 153369102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).