7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole

C49H32N4S — CID 166915900

IUPAC7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole
SMILESc1ccc(C2=NC(c3cccc4c3sc3ccccc34)NC(c3ccc(-c4cccc(-n5c6ccccc6c6c7ccccc7ccc65)c4)cc3)=N2)cc1
InChIInChI=1S/C49H32N4S/c1-2-13-33(14-3-1)47-50-48(52-49(51-47)41-21-11-20-39-38-18-7-9-23-44(38)54-46(39)41)34-26-24-31(25-27-34)35-15-10-16-36(30-35)53-42-22-8-6-19-40(42)45-37-17-5-4-12-32(37)28-29-43(45)53/h1-30,49H,(H,50,51,52)
InChIKeyXMKYOLVKDNVJNH-UHFFFAOYSA-N
MW708.89 g/mol
LogP12.47
Rot. Bonds5

About 7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole

7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole (PubChem CID 166915900) has the molecular formula C49H32N4S and a molecular weight of 708.89 g/mol. Its IUPAC name is 7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole
PubChem CID166915900
Molecular FormulaC49H32N4S
Molecular Weight708.89 g/mol
Exact Mass708.23
IUPAC Name7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole
SMILESc1ccc(C2=NC(c3cccc4c3sc3ccccc34)NC(c3ccc(-c4cccc(-n5c6ccccc6c6c7ccccc7ccc65)c4)cc3)=N2)cc1
InChIInChI=1S/C49H32N4S/c1-2-13-33(14-3-1)47-50-48(52-49(51-47)41-21-11-20-39-38-18-7-9-23-44(38)54-46(39)41)34-26-24-31(25-27-34)35-15-10-16-36(30-35)53-42-22-8-6-19-40(42)45-37-17-5-4-12-32(37)28-29-43(45)53/h1-30,49H,(H,50,51,52)
InChIKeyXMKYOLVKDNVJNH-UHFFFAOYSA-N
XLogP12.47
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.89
LogP ≤ 512.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430320
14-[3-[6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170106111
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
9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174272126
4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174274036
5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699662
9-[3-(6-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-phenylcarbazole
CID 174276551
12-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032341
5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273713
7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166915327
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
4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
CID 170097785

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole?
The IUPAC name of 7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole (CID 166915900) is 7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole.
What is the SMILES notation for 7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole?
The canonical SMILES for 7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole is c1ccc(C2=NC(c3cccc4c3sc3ccccc34)NC(c3ccc(-c4cccc(-n5c6ccccc6c6c7ccccc7ccc65)c4)cc3)=N2)cc1.
What is the InChIKey of 7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole?
The InChIKey is XMKYOLVKDNVJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4S/c1-2-13-33(14-3-1)47-50-48(52-49(51-47)41-21-11-20-39-38-18-7-9-23-44(38)54-46(39)41)34-26-24-31(25-27-34)35-15-10-16-36(30-35)53-42-22-8-6-19-40(42)45-37-17-5-4-12-32(37)28-29-43(45)53/h1-30,49H,(H,50,51,52).
What are the key properties of 7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole?
7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole has a molecular weight of 708.89 g/mol, XLogP of 12.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[4-(2-dibenzothiophen-4-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzo[c]carbazole is sourced from PubChem (CID 166915900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).