N-(5a,6-dihydrodibenzothiophen-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-9-amine

C43H31NOS — CID 170036273

IUPACN-(5a,6-dihydrodibenzothiophen-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C3=CC=CCC3S4)c3ccc4c(c3)oc3ccc5ccccc5c34)cccc21
InChIInChI=1S/C43H31NOS/c1-43(2)34-14-7-5-13-31(34)42-35(43)15-9-16-36(42)44(27-20-23-40-33(24-27)30-12-6-8-17-39(30)46-40)28-19-21-32-38(25-28)45-37-22-18-26-10-3-4-11-29(26)41(32)37/h3-16,18-25,39H,17H2,1-2H3
InChIKeyMHTWSKUPRVWIDB-UHFFFAOYSA-N
MW609.79 g/mol
LogP12.33
Rot. Bonds3

About N-(5a,6-dihydrodibenzothiophen-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-9-amine

N-(5a,6-dihydrodibenzothiophen-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 170036273) has the molecular formula C43H31NOS and a molecular weight of 609.79 g/mol. Its IUPAC name is N-(5a,6-dihydrodibenzothiophen-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(5a,6-dihydrodibenzothiophen-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID170036273
Molecular FormulaC43H31NOS
Molecular Weight609.79 g/mol
Exact Mass609.21
IUPAC NameN-(5a,6-dihydrodibenzothiophen-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C3=CC=CCC3S4)c3ccc4c(c3)oc3ccc5ccccc5c34)cccc21
InChIInChI=1S/C43H31NOS/c1-43(2)34-14-7-5-13-31(34)42-35(43)15-9-16-36(42)44(27-20-23-40-33(24-27)30-12-6-8-17-39(30)46-40)28-19-21-32-38(25-28)45-37-22-18-26-10-3-4-11-29(26)41(32)37/h3-16,18-25,39H,17H2,1-2H3
InChIKeyMHTWSKUPRVWIDB-UHFFFAOYSA-N
XLogP12.33
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.79
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170035232
N-chrysen-6-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-3-amine
CID 170139265
N-(5a,6-dihydrodibenzothiophen-3-yl)-N-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 170035896
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-chrysen-4-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 170140218
[4-[dibenzofuran-2-yl-[22-[dibenzofuran-2-yl-(9,9-dimethylfluoren-4-yl)amino]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaen-8-yl]amino]-9-methylfluoren-9-yl]methanethiol
CID 170236511
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine
CID 177121517
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 170044165
N-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 170044172
N-(9,9-dimethylfluoren-4-yl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine
CID 178036941
14,14-dimethyl-N,N-di(phenanthren-9-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 134392887

Frequently Asked Questions

What is the IUPAC name of N-(5a,6-dihydrodibenzothiophen-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-(5a,6-dihydrodibenzothiophen-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-9-amine (CID 170036273) is N-(5a,6-dihydrodibenzothiophen-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(5a,6-dihydrodibenzothiophen-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-(5a,6-dihydrodibenzothiophen-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-9-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)C3=CC=CCC3S4)c3ccc4c(c3)oc3ccc5ccccc5c34)cccc21.
What is the InChIKey of N-(5a,6-dihydrodibenzothiophen-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is MHTWSKUPRVWIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NOS/c1-43(2)34-14-7-5-13-31(34)42-35(43)15-9-16-36(42)44(27-20-23-40-33(24-27)30-12-6-8-17-39(30)46-40)28-19-21-32-38(25-28)45-37-22-18-26-10-3-4-11-29(26)41(32)37/h3-16,18-25,39H,17H2,1-2H3.
What are the key properties of N-(5a,6-dihydrodibenzothiophen-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-9-amine?
N-(5a,6-dihydrodibenzothiophen-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 609.79 g/mol, XLogP of 12.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5a,6-dihydrodibenzothiophen-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 170036273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).