10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole

C55H35N5S — CID 159682498

IUPAC10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(C2N=C(c3cccc4c3c3c5sc6cc(-n7c8ccccc8c8ccccc87)ccc6c5ccc3n4-c3ccccc3)N=C(c3ccc4ccccc4c3)N2)cc1
InChIInChI=1S/C55H35N5S/c1-3-15-35(16-4-1)53-56-54(37-27-26-34-14-7-8-17-36(34)32-37)58-55(57-53)44-22-13-25-47-50(44)51-48(59(47)38-18-5-2-6-19-38)31-30-43-42-29-28-39(33-49(42)61-52(43)51)60-45-23-11-9-20-40(45)41-21-10-12-24-46(41)60/h1-33,53H,(H,56,57,58)
InChIKeyMVJMXMPIMORPCB-UHFFFAOYSA-N
MW797.99 g/mol
LogP13.90
Rot. Bonds5

About 10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole

10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 159682498) has the molecular formula C55H35N5S and a molecular weight of 797.99 g/mol. Its IUPAC name is 10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
PubChem CID159682498
Molecular FormulaC55H35N5S
Molecular Weight797.99 g/mol
Exact Mass797.26
IUPAC Name10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(C2N=C(c3cccc4c3c3c5sc6cc(-n7c8ccccc8c8ccccc87)ccc6c5ccc3n4-c3ccccc3)N=C(c3ccc4ccccc4c3)N2)cc1
InChIInChI=1S/C55H35N5S/c1-3-15-35(16-4-1)53-56-54(37-27-26-34-14-7-8-17-36(34)32-37)58-55(57-53)44-22-13-25-47-50(44)51-48(59(47)38-18-5-2-6-19-38)31-30-43-42-29-28-39(33-49(42)61-52(43)51)60-45-23-11-9-20-40(45)41-21-10-12-24-46(41)60/h1-33,53H,(H,56,57,58)
InChIKeyMVJMXMPIMORPCB-UHFFFAOYSA-N
XLogP13.90
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.99
LogP ≤ 513.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-dibenzothiophen-4-yl-4-(6-phenanthren-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole
CID 155430839
12-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145156440
4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 137245379
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214902
6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 174310067
2-dibenzothiophen-4-yl-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]carbazole
CID 166736754
9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
CID 166961473
9-[3-(6-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-phenylcarbazole
CID 174276551
2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole
CID 142504958
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 166962570
9-[16-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole
CID 146664369
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917

Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole (CID 159682498) is 10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole is c1ccc(C2N=C(c3cccc4c3c3c5sc6cc(-n7c8ccccc8c8ccccc87)ccc6c5ccc3n4-c3ccccc3)N=C(c3ccc4ccccc4c3)N2)cc1.
What is the InChIKey of 10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is MVJMXMPIMORPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5S/c1-3-15-35(16-4-1)53-56-54(37-27-26-34-14-7-8-17-36(34)32-37)58-55(57-53)44-22-13-25-47-50(44)51-48(59(47)38-18-5-2-6-19-38)31-30-43-42-29-28-39(33-49(42)61-52(43)51)60-45-23-11-9-20-40(45)41-21-10-12-24-46(41)60/h1-33,53H,(H,56,57,58).
What are the key properties of 10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 797.99 g/mol, XLogP of 13.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 159682498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).