7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine

C33H24BrNS — CID 129194645

IUPAC7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4c3sc3cc(Br)ccc34)ccc21
InChIInChI=1S/C33H24BrNS/c1-33(2)28-13-7-6-11-24(28)27-20-23(16-18-29(27)33)35(22-9-4-3-5-10-22)30-14-8-12-26-25-17-15-21(34)19-31(25)36-32(26)30/h3-20H,1-2H3
InChIKeyDDUTYKGUXMTRDP-UHFFFAOYSA-N
MW546.53 g/mol
LogP10.59
Rot. Bonds3

About 7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine

7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine (PubChem CID 129194645) has the molecular formula C33H24BrNS and a molecular weight of 546.53 g/mol. Its IUPAC name is 7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound Name7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
PubChem CID129194645
Molecular FormulaC33H24BrNS
Molecular Weight546.53 g/mol
Exact Mass545.08
IUPAC Name7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4c3sc3cc(Br)ccc34)ccc21
InChIInChI=1S/C33H24BrNS/c1-33(2)28-13-7-6-11-24(28)27-20-23(16-18-29(27)33)35(22-9-4-3-5-10-22)30-14-8-12-26-25-17-15-21(34)19-31(25)36-32(26)30/h3-20H,1-2H3
InChIKeyDDUTYKGUXMTRDP-UHFFFAOYSA-N
XLogP10.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.53
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine
CID 170044096
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
CID 167197274
6-N-(9,9-dimethylfluoren-3-yl)-3-N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-6-N-phenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophene-3,6-diamine
CID 167295271
2-N-dibenzothiophen-4-yl-4-N-(9,9-dimethylfluoren-3-yl)-2-N,4-N-diphenylphenoxathiine-2,4-diamine
CID 159535140
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 139568162
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167176515
N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine
CID 156554191
N-(2-dibenzothiophen-3-yl-3-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 170666062
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine
CID 90129132
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-4-amine
CID 170044692
N-(9,9-dimethylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168790195

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine?
The IUPAC name of 7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine (CID 129194645) is 7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine.
What is the SMILES notation for 7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine?
The canonical SMILES for 7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cccc4c3sc3cc(Br)ccc34)ccc21.
What is the InChIKey of 7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine?
The InChIKey is DDUTYKGUXMTRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24BrNS/c1-33(2)28-13-7-6-11-24(28)27-20-23(16-18-29(27)33)35(22-9-4-3-5-10-22)30-14-8-12-26-25-17-15-21(34)19-31(25)36-32(26)30/h3-20H,1-2H3.
What are the key properties of 7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine?
7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine has a molecular weight of 546.53 g/mol, XLogP of 10.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 129194645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).