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

C49H35NS — CID 135277767

IUPACN-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(sc5ccccc54)c3-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C49H35NS/c1-49(2)43-18-10-8-16-39(43)40-27-26-38(31-44(40)49)50(37-24-22-34(23-25-37)32-12-4-3-5-13-32)45-29-28-42-41-17-9-11-19-46(41)51-48(42)47(45)36-21-20-33-14-6-7-15-35(33)30-36/h3-31H,1-2H3
InChIKeyHDBSGKLOAPBMAT-UHFFFAOYSA-N
MW669.89 g/mol
LogP14.32
Rot. Bonds5

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

N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 135277767) has the molecular formula C49H35NS and a molecular weight of 669.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID135277767
Molecular FormulaC49H35NS
Molecular Weight669.89 g/mol
Exact Mass669.25
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(sc5ccccc54)c3-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C49H35NS/c1-49(2)43-18-10-8-16-39(43)40-27-26-38(31-44(40)49)50(37-24-22-34(23-25-37)32-12-4-3-5-13-32)45-29-28-42-41-17-9-11-19-46(41)51-48(42)47(45)36-21-20-33-14-6-7-15-35(33)30-36/h3-31H,1-2H3
InChIKeyHDBSGKLOAPBMAT-UHFFFAOYSA-N
XLogP14.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.89
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 177280656
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156522863
N-(9,9-dimethylfluoren-2-yl)-N-(7,7-dimethyl-9-naphthalen-2-ylbenzo[a]phenalen-1-yl)dibenzothiophen-4-amine
CID 167232236
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine
CID 177079863
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919142
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]triphenylen-2-amine;N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-triphenylen-2-yldibenzothiophen-3-amine;N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-3-amine;4-phenyl-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-3-amine
CID 160539416
N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293330
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine
CID 160590629
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 156522498
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-naphthalen-2-yldibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-N-phenyldibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 159884801
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluoreno[4,3-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]-10'-amine
CID 130463220
N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine;N-[4-(4-naphthalen-2-yldibenzothiophen-3-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;N-phenyl-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine;4-phenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzothiophen-3-yl]phenyl]aniline;N,N,4-tris(4-phenylphenyl)dibenzothiophen-3-amine
CID 163608762

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 135277767) is N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(sc5ccccc54)c3-c3ccc4ccccc4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is HDBSGKLOAPBMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NS/c1-49(2)43-18-10-8-16-39(43)40-27-26-38(31-44(40)49)50(37-24-22-34(23-25-37)32-12-4-3-5-13-32)45-29-28-42-41-17-9-11-19-46(41)51-48(42)47(45)36-21-20-33-14-6-7-15-35(33)30-36/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 669.89 g/mol, XLogP of 14.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 135277767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).