7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine

C41H29NOS — CID 166590870

IUPAC7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESCC1(C)c2cc(-c3ccc4c(c3)sc3cc(Nc5ccc(-c6ccccc6)cc5)ccc34)ccc2-c2oc3ccccc3c21
InChIInChI=1S/C41H29NOS/c1-41(2)35-22-27(15-20-33(35)40-39(41)34-10-6-7-11-36(34)43-40)28-14-19-31-32-21-18-30(24-38(32)44-37(31)23-28)42-29-16-12-26(13-17-29)25-8-4-3-5-9-25/h3-24,42H,1-2H3
InChIKeyPZXSQCQMKDPIEZ-UHFFFAOYSA-N
MW583.76 g/mol
LogP12.18
Rot. Bonds4

About 7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine

7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 166590870) has the molecular formula C41H29NOS and a molecular weight of 583.76 g/mol. Its IUPAC name is 7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound Name7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID166590870
Molecular FormulaC41H29NOS
Molecular Weight583.76 g/mol
Exact Mass583.20
IUPAC Name7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESCC1(C)c2cc(-c3ccc4c(c3)sc3cc(Nc5ccc(-c6ccccc6)cc5)ccc34)ccc2-c2oc3ccccc3c21
InChIInChI=1S/C41H29NOS/c1-41(2)35-22-27(15-20-33(35)40-39(41)34-10-6-7-11-36(34)43-40)28-14-19-31-32-21-18-30(24-38(32)44-37(31)23-28)42-29-16-12-26(13-17-29)25-8-4-3-5-9-25/h3-24,42H,1-2H3
InChIKeyPZXSQCQMKDPIEZ-UHFFFAOYSA-N
XLogP12.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.76
LogP ≤ 512.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-4-phenylaniline
CID 156549321
10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856909
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 129199649
2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174245071
N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 156549318
10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856891
N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 156549410
10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856957
3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134387503
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline
CID 168839723
2-dibenzofuran-3-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 163970281

Frequently Asked Questions

What is the IUPAC name of 7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of 7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 166590870) is 7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for 7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for 7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine is CC1(C)c2cc(-c3ccc4c(c3)sc3cc(Nc5ccc(-c6ccccc6)cc5)ccc34)ccc2-c2oc3ccccc3c21.
What is the InChIKey of 7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is PZXSQCQMKDPIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29NOS/c1-41(2)35-22-27(15-20-33(35)40-39(41)34-10-6-7-11-36(34)43-40)28-14-19-31-32-21-18-30(24-38(32)44-37(31)23-28)42-29-16-12-26(13-17-29)25-8-4-3-5-9-25/h3-24,42H,1-2H3.
What are the key properties of 7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 583.76 g/mol, XLogP of 12.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 166590870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).