N-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine

C43H31NOS — CID 170044172

IUPACN-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(C3=Cc4c(sc5ccc6ccccc6c45)CC3)c3ccc4oc5ccccc5c4c3)cccc21
InChIInChI=1S/C43H31NOS/c1-43(2)34-14-7-5-13-31(34)42-35(43)15-9-16-36(42)44(27-19-21-38-32(24-27)30-12-6-8-17-37(30)45-38)28-20-23-39-33(25-28)41-29-11-4-3-10-26(29)18-22-40(41)46-39/h3-19,21-22,24-25H,20,23H2,1-2H3
InChIKeyLFRCLQGXEVEQEI-UHFFFAOYSA-N
MW609.79 g/mol
LogP12.39
Rot. Bonds3

About N-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine

N-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine (PubChem CID 170044172) has the molecular formula C43H31NOS and a molecular weight of 609.79 g/mol. Its IUPAC name is N-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
PubChem CID170044172
Molecular FormulaC43H31NOS
Molecular Weight609.79 g/mol
Exact Mass609.21
IUPAC NameN-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(C3=Cc4c(sc5ccc6ccccc6c45)CC3)c3ccc4oc5ccccc5c4c3)cccc21
InChIInChI=1S/C43H31NOS/c1-43(2)34-14-7-5-13-31(34)42-35(43)15-9-16-36(42)44(27-19-21-38-32(24-27)30-12-6-8-17-37(30)45-38)28-20-23-39-33(25-28)41-29-11-4-3-10-26(29)18-22-40(41)46-39/h3-19,21-22,24-25H,20,23H2,1-2H3
InChIKeyLFRCLQGXEVEQEI-UHFFFAOYSA-N
XLogP12.39
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 ≤ 512.39
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-4-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 170140218
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine
CID 170044045
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170535038
N-chrysen-6-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-3-amine
CID 170139265
N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 170044165
N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119768
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine
CID 170044310
[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
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 171727220

Frequently Asked Questions

What is the IUPAC name of N-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine?
The IUPAC name of N-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine (CID 170044172) is N-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine?
The canonical SMILES for N-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine is CC1(C)c2ccccc2-c2c(N(C3=Cc4c(sc5ccc6ccccc6c45)CC3)c3ccc4oc5ccccc5c4c3)cccc21.
What is the InChIKey of N-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine?
The InChIKey is LFRCLQGXEVEQEI-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(27-19-21-38-32(24-27)30-12-6-8-17-37(30)45-38)28-20-23-39-33(25-28)41-29-11-4-3-10-26(29)18-22-40(41)46-39/h3-19,21-22,24-25H,20,23H2,1-2H3.
What are the key properties of N-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine?
N-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine has a molecular weight of 609.79 g/mol, XLogP of 12.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,9-dihydronaphtho[2,1-b][1]benzothiol-10-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine is sourced from PubChem (CID 170044172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).