N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine

C48H37NS — CID 139568036

IUPACN-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4c(c3)sc3ccccc34)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C48H37NS/c1-47(2)39-19-10-6-17-37(39)46-40(47)20-13-22-43(46)49(31-25-27-34-33-15-5-9-18-38(33)48(3,4)41(34)29-31)42-21-11-7-14-32(42)30-24-26-36-35-16-8-12-23-44(35)50-45(36)28-30/h5-29H,1-4H3
InChIKeyBVJWPEXAODYRDT-UHFFFAOYSA-N
MW659.90 g/mol
LogP13.80
Rot. Bonds4

About N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine

N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 139568036) has the molecular formula C48H37NS and a molecular weight of 659.90 g/mol. Its IUPAC name is N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
PubChem CID139568036
Molecular FormulaC48H37NS
Molecular Weight659.90 g/mol
Exact Mass659.26
IUPAC NameN-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4c(c3)sc3ccccc34)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C48H37NS/c1-47(2)39-19-10-6-17-37(39)46-40(47)20-13-22-43(46)49(31-25-27-34-33-15-5-9-18-38(33)48(3,4)41(34)29-31)42-21-11-7-14-32(42)30-24-26-36-35-16-8-12-23-44(35)50-45(36)28-30/h5-29H,1-4H3
InChIKeyBVJWPEXAODYRDT-UHFFFAOYSA-N
XLogP13.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.90
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143251
2-dibenzothiophen-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylaniline
CID 170140456
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
CID 168840172
N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170140442
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphtho[2,1-b][1]benzothiol-4-ylphenyl)dibenzothiophen-3-amine
CID 170044876
N-[4-[7-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164724672
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463375
N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 167176690
N-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine
CID 171453391
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]fluoren-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 162216523
N-[2-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 169039618
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839548

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine (CID 139568036) is N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4c(c3)sc3ccccc34)c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is BVJWPEXAODYRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37NS/c1-47(2)39-19-10-6-17-37(39)46-40(47)20-13-22-43(46)49(31-25-27-34-33-15-5-9-18-38(33)48(3,4)41(34)29-31)42-21-11-7-14-32(42)30-24-26-36-35-16-8-12-23-44(35)50-45(36)28-30/h5-29H,1-4H3.
What are the key properties of N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 659.90 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 139568036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).