5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine

C40H34N2 — CID 166052792

IUPAC5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine
SMILESCC(C)(C)c1ccc(N2c3ccccc3N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C40H34N2/c1-40(2,3)31-25-27-32(28-26-31)41-35-21-10-12-23-37(35)42(38-24-13-11-22-36(38)41)39-33(29-15-6-4-7-16-29)19-14-20-34(39)30-17-8-5-9-18-30/h4-28H,1-3H3
InChIKeySCMLTRZORDEOHJ-UHFFFAOYSA-N
MW542.73 g/mol
LogP11.57
Rot. Bonds4

About 5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine

5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine (PubChem CID 166052792) has the molecular formula C40H34N2 and a molecular weight of 542.73 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine
PubChem CID166052792
Molecular FormulaC40H34N2
Molecular Weight542.73 g/mol
Exact Mass542.27
IUPAC Name5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine
SMILESCC(C)(C)c1ccc(N2c3ccccc3N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C40H34N2/c1-40(2,3)31-25-27-32(28-26-31)41-35-21-10-12-23-37(35)42(38-24-13-11-22-36(38)41)39-33(29-15-6-4-7-16-29)19-14-20-34(39)30-17-8-5-9-18-30/h4-28H,1-3H3
InChIKeySCMLTRZORDEOHJ-UHFFFAOYSA-N
XLogP11.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.73
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
4,18-ditert-butyl-8-(2,6-diphenylphenyl)-11-methyl-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 159089683
11-tert-butyl-8,14-bis(2,6-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 158286502
9,31-ditert-butyl-15,18,25-tris(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene
CID 164733064
8-[2,6-bis(3-tert-butylphenyl)phenyl]-4,18-ditert-butyl-14-(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 160905852
4,11,18-tritert-butyl-8-(4-tert-butylphenyl)-14-(2-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 167359720
11-tert-butyl-8,14-bis[2-phenyl-6-(2-phenylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 176790297
8,14-bis[2,6-bis(4-tert-butylphenyl)phenyl]-5-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-17-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 167401194
9,15,31-tritert-butyl-28-(4-tert-butylphenyl)-12,22-bis(2,6-diphenylphenyl)-25-phenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene
CID 164733073
7,27-bis(4-tert-butylphenyl)-4,10-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8(13),9,11,15,17,19(33),21,23,25,28(34),29,31-pentadecaene
CID 169068772
7,12-ditert-butyl-20-(2,6-diphenylphenyl)-26-phenyl-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5(34),6,8,10(15),11,13,18,21,23,25(33),27,29,31-pentadecaene
CID 167382161
17-tert-butyl-4-(4-tert-butylphenyl)-7,13-bis(2,6-diphenylphenyl)-5-thia-3,7,13-triaza-1-borapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),3,8,10,12(20),14(19),15,17-octaene;10,17-ditert-butyl-4,13-bis(4-tert-butylphenyl)-7-(2,6-diphenylphenyl)-5-thia-3,7,13-triaza-1-borapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),3,8,10,12(20),14(19),15,17-octaene;10,17-ditert-butyl-7-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4,13-bis(4-tert-butylphenyl)-5-thia-3,7,13-triaza-1-borapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),3,8,10,12(20),14(19),15,17-octaene
CID 163889443

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine?
The IUPAC name of 5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine (CID 166052792) is 5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine?
The canonical SMILES for 5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine is CC(C)(C)c1ccc(N2c3ccccc3N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine?
The InChIKey is SCMLTRZORDEOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N2/c1-40(2,3)31-25-27-32(28-26-31)41-35-21-10-12-23-37(35)42(38-24-13-11-22-36(38)41)39-33(29-15-6-4-7-16-29)19-14-20-34(39)30-17-8-5-9-18-30/h4-28H,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine?
5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine has a molecular weight of 542.73 g/mol, XLogP of 11.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine is sourced from PubChem (CID 166052792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).