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

C43H37NO — CID 134393195

IUPACN-[4-(4-tert-butylphenyl)phenyl]-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-1-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5cc6c(cc5c34)-c3ccccc3C6(C)C)cc2)cc1
InChIInChI=1S/C43H37NO/c1-42(2,3)30-22-18-28(19-23-30)29-20-24-32(25-21-29)44(31-12-7-6-8-13-31)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
InChIKeyPCYZNKYJVXCQSH-UHFFFAOYSA-N
MW583.78 g/mol
LogP12.33
Rot. Bonds4

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

N-[4-(4-tert-butylphenyl)phenyl]-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-1-amine (PubChem CID 134393195) has the molecular formula C43H37NO and a molecular weight of 583.78 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)phenyl]-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)phenyl]-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-1-amine
PubChem CID134393195
Molecular FormulaC43H37NO
Molecular Weight583.78 g/mol
Exact Mass583.29
IUPAC NameN-[4-(4-tert-butylphenyl)phenyl]-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-1-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5cc6c(cc5c34)-c3ccccc3C6(C)C)cc2)cc1
InChIInChI=1S/C43H37NO/c1-42(2,3)30-22-18-28(19-23-30)29-20-24-32(25-21-29)44(31-12-7-6-8-13-31)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
InChIKeyPCYZNKYJVXCQSH-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-1-amine?
The IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-1-amine (CID 134393195) is N-[4-(4-tert-butylphenyl)phenyl]-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-1-amine.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)phenyl]-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-1-amine?
The canonical SMILES for N-[4-(4-tert-butylphenyl)phenyl]-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-1-amine is CC(C)(C)c1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5cc6c(cc5c34)-c3ccccc3C6(C)C)cc2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)phenyl]-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-1-amine?
The InChIKey is PCYZNKYJVXCQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37NO/c1-42(2,3)30-22-18-28(19-23-30)29-20-24-32(25-21-29)44(31-12-7-6-8-13-31)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-(4-tert-butylphenyl)phenyl]-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-1-amine?
N-[4-(4-tert-butylphenyl)phenyl]-7,7-dimethyl-N-phenylfluoreno[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-(4-tert-butylphenyl)phenyl]-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 134393195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).