N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine

C49H33NOS — CID 169295434

IUPACN-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3oc3c(-c5ccccc5)c5ccccc5cc34)c3cccc4c3sc3ccccc34)cc21
InChIInChI=1S/C49H33NOS/c1-49(2)40-22-10-8-18-34(40)35-27-26-32(29-41(35)49)50(43-24-13-21-38-36-19-9-11-25-44(36)52-48(38)43)42-23-12-20-37-39-28-31-16-6-7-17-33(31)45(47(39)51-46(37)42)30-14-4-3-5-15-30/h3-29H,1-2H3
InChIKeyNLBKYDVACZNPBI-UHFFFAOYSA-N
MW683.88 g/mol
LogP14.55
Rot. Bonds4

About N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine

N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 169295434) has the molecular formula C49H33NOS and a molecular weight of 683.88 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine
PubChem CID169295434
Molecular FormulaC49H33NOS
Molecular Weight683.88 g/mol
Exact Mass683.23
IUPAC NameN-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3oc3c(-c5ccccc5)c5ccccc5cc34)c3cccc4c3sc3ccccc34)cc21
InChIInChI=1S/C49H33NOS/c1-49(2)40-22-10-8-18-34(40)35-27-26-32(29-41(35)49)50(43-24-13-21-38-36-19-9-11-25-44(36)52-48(38)43)42-23-12-20-37-39-28-31-16-6-7-17-33(31)45(47(39)51-46(37)42)30-14-4-3-5-15-30/h3-29H,1-2H3
InChIKeyNLBKYDVACZNPBI-UHFFFAOYSA-N
XLogP14.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.88
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169295694
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296235
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-(4-triphenylen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295211
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295150
6-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 165108468
N-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295713
N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295596
6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169296176
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296063
N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 167143477
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-19-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 171433326
N-(9,9-dimethylfluoren-2-yl)-N-[1-(4-naphthalen-1-ylphenyl)triphenylen-2-yl]dibenzothiophen-4-amine
CID 177294684

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine (CID 169295434) is N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc4c3oc3c(-c5ccccc5)c5ccccc5cc34)c3cccc4c3sc3ccccc34)cc21.
What is the InChIKey of N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is NLBKYDVACZNPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NOS/c1-49(2)40-22-10-8-18-34(40)35-27-26-32(29-41(35)49)50(43-24-13-21-38-36-19-9-11-25-44(36)52-48(38)43)42-23-12-20-37-39-28-31-16-6-7-17-33(31)45(47(39)51-46(37)42)30-14-4-3-5-15-30/h3-29H,1-2H3.
What are the key properties of N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine?
N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine has a molecular weight of 683.88 g/mol, XLogP of 14.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 169295434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).