4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine

C54H38N4S — CID 118888356

IUPAC4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4cccc5sc6ccccc6c45)nc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)n3)cccc21
InChIInChI=1S/C54H38N4S/c1-54(2)44-26-12-9-22-40(44)49-42(24-15-27-45(49)54)51-55-52(43-25-16-30-48-50(43)41-23-11-14-29-47(41)59-48)57-53(56-51)58(38-33-31-36(32-34-38)35-17-5-3-6-18-35)46-28-13-10-21-39(46)37-19-7-4-8-20-37/h3-34H,1-2H3
InChIKeyUGYRVPCURUYOOP-UHFFFAOYSA-N
MW774.99 g/mol
LogP14.68
Rot. Bonds7

About 4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine

4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine (PubChem CID 118888356) has the molecular formula C54H38N4S and a molecular weight of 774.99 g/mol. Its IUPAC name is 4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
PubChem CID118888356
Molecular FormulaC54H38N4S
Molecular Weight774.99 g/mol
Exact Mass774.28
IUPAC Name4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4cccc5sc6ccccc6c45)nc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)n3)cccc21
InChIInChI=1S/C54H38N4S/c1-54(2)44-26-12-9-22-40(44)49-42(24-15-27-45(49)54)51-55-52(43-25-16-30-48-50(43)41-23-11-14-29-47(41)59-48)57-53(56-51)58(38-33-31-36(32-34-38)35-17-5-3-6-18-35)46-28-13-10-21-39(46)37-19-7-4-8-20-37/h3-34H,1-2H3
InChIKeyUGYRVPCURUYOOP-UHFFFAOYSA-N
XLogP14.68
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.99
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-diphenylphenyl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)fluoren-4-amine
CID 168807524
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 170044787
N-[2-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 169039618
2-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681114
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 156828284
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414
N,N-bis(4-phenylphenyl)-3-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)aniline;N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]aniline
CID 162033324
N-(2-dibenzothiophen-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-4-amine
CID 176583192
N-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170043081
N-(2-dibenzothiophen-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170140442
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[8-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946763

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine (CID 118888356) is 4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine is CC1(C)c2ccccc2-c2c(-c3nc(-c4cccc5sc6ccccc6c45)nc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)n3)cccc21.
What is the InChIKey of 4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is UGYRVPCURUYOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4S/c1-54(2)44-26-12-9-22-40(44)49-42(24-15-27-45(49)54)51-55-52(43-25-16-30-48-50(43)41-23-11-14-29-47(41)59-48)57-53(56-51)58(38-33-31-36(32-34-38)35-17-5-3-6-18-35)46-28-13-10-21-39(46)37-19-7-4-8-20-37/h3-34H,1-2H3.
What are the key properties of 4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine?
4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 774.99 g/mol, XLogP of 14.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-1-yl-6-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 118888356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).