10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole

C34H22N6 — CID 90231417

IUPAC10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(cnn5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C34H22N6/c1-4-12-23(13-5-1)32-36-33(24-14-6-2-7-15-24)38-34(37-32)39-29-19-11-10-18-26(29)27-20-21-30-28(31(27)39)22-35-40(30)25-16-8-3-9-17-25/h1-22H
InChIKeyAFCLMXWWVZCVJC-UHFFFAOYSA-N
MW514.59 g/mol
LogP7.64
Rot. Bonds4

About 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole (PubChem CID 90231417) has the molecular formula C34H22N6 and a molecular weight of 514.59 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole.

Molecular Properties

Compound Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole
PubChem CID90231417
Molecular FormulaC34H22N6
Molecular Weight514.59 g/mol
Exact Mass514.19
IUPAC Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(cnn5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C34H22N6/c1-4-12-23(13-5-1)32-36-33(24-14-6-2-7-15-24)38-34(37-32)39-29-19-11-10-18-26(29)27-20-21-30-28(31(27)39)22-35-40(30)25-16-8-3-9-17-25/h1-22H
InChIKeyAFCLMXWWVZCVJC-UHFFFAOYSA-N
XLogP7.64
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole
CID 90231427
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-phenylpyrazolo[4,5-a]carbazole
CID 129303351
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole
CID 129303871
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-27-phenyl-9,27-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18,20(28),21,23,25-tridecaene
CID 135232286
3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole
CID 163617789
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,6,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 139524740
5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole sulfide
CID 158568390
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17(22),18,20-undecaene
CID 122524145
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701783

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole?
The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole (CID 90231417) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole.
What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole?
The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(cnn5-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole?
The InChIKey is AFCLMXWWVZCVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N6/c1-4-12-23(13-5-1)32-36-33(24-14-6-2-7-15-24)38-34(37-32)39-29-19-11-10-18-26(29)27-20-21-30-28(31(27)39)22-35-40(30)25-16-8-3-9-17-25/h1-22H.
What are the key properties of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole?
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole has a molecular weight of 514.59 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole is sourced from PubChem (CID 90231417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).