N-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine

C43H37NO — CID 134393185

IUPACN-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc4cc5c(cc4c23)-c2ccccc2C5(C)C)cc1
InChIInChI=1S/C43H37NO/c1-42(2,3)30-20-24-32(25-21-30)44(31-22-18-29(19-23-31)28-12-7-6-8-13-28)38-16-11-17-39-41(38)35-26-34-33-14-9-10-15-36(33)43(4,5)37(34)27-40(35)45-39/h6-27H,1-5H3
InChIKeyWLHOXFWWZNMFID-UHFFFAOYSA-N
MW583.78 g/mol
LogP12.33
Rot. Bonds4

About N-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine

N-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine (PubChem CID 134393185) has the molecular formula C43H37NO and a molecular weight of 583.78 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
PubChem CID134393185
Molecular FormulaC43H37NO
Molecular Weight583.78 g/mol
Exact Mass583.29
IUPAC NameN-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc4cc5c(cc4c23)-c2ccccc2C5(C)C)cc1
InChIInChI=1S/C43H37NO/c1-42(2,3)30-20-24-32(25-21-30)44(31-22-18-29(19-23-31)28-12-7-6-8-13-28)38-16-11-17-39-41(38)35-26-34-33-14-9-10-15-36(33)43(4,5)37(34)27-40(35)45-39/h6-27H,1-5H3
InChIKeyWLHOXFWWZNMFID-UHFFFAOYSA-N
XLogP12.33
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.78
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393175
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-1-amine
CID 170353028
1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine
CID 176821901
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
7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine
CID 158550315
5-tert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine
CID 176822011
4-bromo-7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 159065022
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788461
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
CID 134393187
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine
CID 170666178
4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
CID 176821917
3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine
CID 176821740

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine?
The IUPAC name of N-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine (CID 134393185) is N-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine is CC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc4cc5c(cc4c23)-c2ccccc2C5(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine?
The InChIKey is WLHOXFWWZNMFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37NO/c1-42(2,3)30-20-24-32(25-21-30)44(31-22-18-29(19-23-31)28-12-7-6-8-13-28)38-16-11-17-39-41(38)35-26-34-33-14-9-10-15-36(33)43(4,5)37(34)27-40(35)45-39/h6-27H,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine?
N-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine has a molecular weight of 583.78 g/mol, XLogP of 12.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 134393185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).