N-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane

C44H41NOS — CID 144782082

IUPACN-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane
SMILESCCCSC.Cc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc12
InChIInChI=1S/C40H31NO.C4H10S/c1-26-11-9-15-33-34-16-10-18-37(39(34)42-38(26)33)41(29-21-19-28(20-22-29)27-12-5-4-6-13-27)30-23-24-32-31-14-7-8-17-35(31)40(2,3)36(32)25-30;1-3-4-5-2/h4-25H,1-3H3;3-4H2,1-2H3
InChIKeyLIPWXEWCRHJEEJ-UHFFFAOYSA-N
MW631.89 g/mol
LogP13.10
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane

N-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane (PubChem CID 144782082) has the molecular formula C44H41NOS and a molecular weight of 631.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane
PubChem CID144782082
Molecular FormulaC44H41NOS
Molecular Weight631.89 g/mol
Exact Mass631.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane
SMILESCCCSC.Cc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc12
InChIInChI=1S/C40H31NO.C4H10S/c1-26-11-9-15-33-34-16-10-18-37(39(34)42-38(26)33)41(29-21-19-28(20-22-29)27-12-5-4-6-13-27)30-23-24-32-31-14-7-8-17-35(31)40(2,3)36(32)25-30;1-3-4-5-2/h4-25H,1-3H3;3-4H2,1-2H3
InChIKeyLIPWXEWCRHJEEJ-UHFFFAOYSA-N
XLogP13.10
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.89
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane 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-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169022015
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(6-methyldibenzofuran-4-yl)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 162209863
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144181
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-amine
CID 154697052
N-(9,9-dimethylfluoren-2-yl)-N,6-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844440
N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170690345
N-(9,9-dimethylfluoren-2-yl)-18-phenyl-N-[2-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-amine
CID 171050332
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626
N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050118

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane (CID 144782082) is N-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane is CCCSC.Cc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc12.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane?
The InChIKey is LIPWXEWCRHJEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31NO.C4H10S/c1-26-11-9-15-33-34-16-10-18-37(39(34)42-38(26)33)41(29-21-19-28(20-22-29)27-12-5-4-6-13-27)30-23-24-32-31-14-7-8-17-35(31)40(2,3)36(32)25-30;1-3-4-5-2/h4-25H,1-3H3;3-4H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane?
N-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane has a molecular weight of 631.89 g/mol, XLogP of 13.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-6-methyl-N-(4-phenylphenyl)dibenzofuran-4-amine;1-methylsulfanylpropane is sourced from PubChem (CID 144782082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).