9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]carbazole

C41H33N5S — CID 177133079

IUPAC9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]carbazole
SMILESCC12CCCCC1(C)N(c1nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n1)c1ccccc12
InChIInChI=1S/C41H33N5S/c1-40-24-11-12-25-41(40,2)46(34-22-9-6-19-31(34)40)39-43-37(30-18-13-17-29-28-16-5-10-23-35(28)47-36(29)30)42-38(44-39)45-32-20-7-3-14-26(32)27-15-4-8-21-33(27)45/h3-10,13-23H,11-12,24-25H2,1-2H3
InChIKeySFVFQZPDPATTJL-UHFFFAOYSA-N
MW627.82 g/mol
LogP10.75
Rot. Bonds3

About 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]carbazole

9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]carbazole (PubChem CID 177133079) has the molecular formula C41H33N5S and a molecular weight of 627.82 g/mol. Its IUPAC name is 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]carbazole
PubChem CID177133079
Molecular FormulaC41H33N5S
Molecular Weight627.82 g/mol
Exact Mass627.25
IUPAC Name9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]carbazole
SMILESCC12CCCCC1(C)N(c1nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n1)c1ccccc12
InChIInChI=1S/C41H33N5S/c1-40-24-11-12-25-41(40,2)46(34-22-9-6-19-31(34)40)39-43-37(30-18-13-17-29-28-16-5-10-23-35(28)47-36(29)30)42-38(44-39)45-32-20-7-3-14-26(32)27-15-4-8-21-33(27)45/h3-10,13-23H,11-12,24-25H2,1-2H3
InChIKeySFVFQZPDPATTJL-UHFFFAOYSA-N
XLogP10.75
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.82
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole
CID 177133093
9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 177133126
[3-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]phenyl]-bis(3-phenylphenyl)-(6-phenyl-2-pyridinyl)silane
CID 177133095
9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
CID 163980013
9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742559
[3-[2-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-[1]benzothiolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane
CID 177132983
16-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4(9),10,14,17,19,21,23-nonaene
CID 177086501
9-(6-carbazol-9-yldibenzothiophen-4-yl)carbazole;4-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;4,6-di(dibenzothiophen-4-yl)dibenzothiophene;4-[3,5-di(dibenzothiophen-4-yl)-2,4,6-trimethylphenyl]dibenzothiophene;2,4,6-tri(dibenzothiophen-4-yl)-1,3,5-triazine
CID 159979274
9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580373
11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 126580395
9-[2-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167276199
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621086

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]carbazole (CID 177133079) is 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]carbazole is CC12CCCCC1(C)N(c1nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n1)c1ccccc12.
What is the InChIKey of 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is SFVFQZPDPATTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N5S/c1-40-24-11-12-25-41(40,2)46(34-22-9-6-19-31(34)40)39-43-37(30-18-13-17-29-28-16-5-10-23-35(28)47-36(29)30)42-38(44-39)45-32-20-7-3-14-26(32)27-15-4-8-21-33(27)45/h3-10,13-23H,11-12,24-25H2,1-2H3.
What are the key properties of 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]carbazole?
9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 627.82 g/mol, XLogP of 10.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 177133079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).