(4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane

C33H22N5P — CID 143992537

IUPAC(4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane
SMILESc1ccc(-c2nc(Pn3c4ccccc4c4ccc5c6ccccc6[nH]c5c43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C33H22N5P/c1-3-11-21(12-4-1)31-35-32(22-13-5-2-6-14-22)37-33(36-31)39-38-28-18-10-8-16-24(28)26-20-19-25-23-15-7-9-17-27(23)34-29(25)30(26)38/h1-20,34,39H
InChIKeyRNMPQKNAHJXYTB-UHFFFAOYSA-N
MW519.55 g/mol
LogP7.72
Rot. Bonds4

About (4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane

(4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane (PubChem CID 143992537) has the molecular formula C33H22N5P and a molecular weight of 519.55 g/mol. Its IUPAC name is (4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane.

Molecular Properties

Compound Name(4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane
PubChem CID143992537
Molecular FormulaC33H22N5P
Molecular Weight519.55 g/mol
Exact Mass519.16
IUPAC Name(4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane
SMILESc1ccc(-c2nc(Pn3c4ccccc4c4ccc5c6ccccc6[nH]c5c43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C33H22N5P/c1-3-11-21(12-4-1)31-35-32(22-13-5-2-6-14-22)37-33(36-31)39-38-28-18-10-8-16-24(28)26-20-19-25-23-15-7-9-17-27(23)34-29(25)30(26)38/h1-20,34,39H
InChIKeyRNMPQKNAHJXYTB-UHFFFAOYSA-N
XLogP7.72
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.55
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-11H-indolo[2,3-a]carbazole
CID 167676898
12-[4-[2-phenyl-6-(2-phenylcyclohexa-2,4-dien-1-yl)pyrimidin-4-yl]phenyl]-11H-indolo[2,3-a]carbazole
CID 170138106
2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene
CID 90432306
12-[4-(3-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165620
12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165529
12-tert-butyl-11H-indolo[2,3-a]carbazole
CID 172511802
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole
CID 170268405
2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 159800613
2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1,3]thiazolo[5,4-a]carbazole;2-phenyl-10H-[1,3]thiazolo[5,4-a]carbazole
CID 158691186
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,26-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(28),2(10),3,5,7,11,13,15,17,19(27),20,22,24-tridecaene
CID 135232351
12-[4-(4-carbazol-9-ylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
CID 88887877
3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene)
CID 158612011

Frequently Asked Questions

What is the IUPAC name of (4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane?
The IUPAC name of (4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane (CID 143992537) is (4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane.
What is the SMILES notation for (4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane?
The canonical SMILES for (4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane is c1ccc(-c2nc(Pn3c4ccccc4c4ccc5c6ccccc6[nH]c5c43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of (4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane?
The InChIKey is RNMPQKNAHJXYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N5P/c1-3-11-21(12-4-1)31-35-32(22-13-5-2-6-14-22)37-33(36-31)39-38-28-18-10-8-16-24(28)26-20-19-25-23-15-7-9-17-27(23)34-29(25)30(26)38/h1-20,34,39H.
What are the key properties of (4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane?
(4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane has a molecular weight of 519.55 g/mol, XLogP of 7.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane is sourced from PubChem (CID 143992537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).