10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole

C49H31N5 — CID 154968751

IUPAC10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(c5ccccc35)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C49H31N5/c1-4-16-32(17-5-1)47-50-48(33-18-6-2-7-19-33)52-49(51-47)40-31-45-46(39-25-11-10-22-36(39)40)41-30-35(28-29-44(41)53(45)34-20-8-3-9-21-34)54-42-26-14-12-23-37(42)38-24-13-15-27-43(38)54/h1-31H
InChIKeyMRSKOFHJXCRGDG-UHFFFAOYSA-N
MW689.82 g/mol
LogP12.22
Rot. Bonds5

About 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole

10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole (PubChem CID 154968751) has the molecular formula C49H31N5 and a molecular weight of 689.82 g/mol. Its IUPAC name is 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
PubChem CID154968751
Molecular FormulaC49H31N5
Molecular Weight689.82 g/mol
Exact Mass689.26
IUPAC Name10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(c5ccccc35)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C49H31N5/c1-4-16-32(17-5-1)47-50-48(33-18-6-2-7-19-33)52-49(51-47)40-31-45-46(39-25-11-10-22-36(39)40)41-30-35(28-29-44(41)53(45)34-20-8-3-9-21-34)54-42-26-14-12-23-37(42)38-24-13-15-27-43(38)54/h1-31H
InChIKeyMRSKOFHJXCRGDG-UHFFFAOYSA-N
XLogP12.22
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.82
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3-carbazol-9-yl-9-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 90211361
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 134598155
9,12-diphenyl-16-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 138654316
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazol-5-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 134598075
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-7-phenylindolo[2,3-b]carbazole
CID 164707538
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 90211376
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
9-(4-carbazol-9-ylphenyl)-14-[4-[4-[4-[6-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]-9-phenylcarbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163928350

Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole?
The IUPAC name of 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole (CID 154968751) is 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole.
What is the SMILES notation for 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole?
The canonical SMILES for 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(c5ccccc35)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole?
The InChIKey is MRSKOFHJXCRGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5/c1-4-16-32(17-5-1)47-50-48(33-18-6-2-7-19-33)52-49(51-47)40-31-45-46(39-25-11-10-22-36(39)40)41-30-35(28-29-44(41)53(45)34-20-8-3-9-21-34)54-42-26-14-12-23-37(42)38-24-13-15-27-43(38)54/h1-31H.
What are the key properties of 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole?
10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole has a molecular weight of 689.82 g/mol, XLogP of 12.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole is sourced from PubChem (CID 154968751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).