2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane

C43H36N2 — CID 160942260

IUPAC2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane
SMILESC.Cc1cc2c(cc1C)N(c1ccc(-c3ccccc3)cc1)c1cc3ccccc3cc1N2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C42H32N2.CH4/c1-29-25-39-40(26-30(29)2)44(38-23-19-34(20-24-38)32-13-7-4-8-14-32)42-28-36-16-10-9-15-35(36)27-41(42)43(39)37-21-17-33(18-22-37)31-11-5-3-6-12-31;/h3-28H,1-2H3;1H4
InChIKeySUQRWQYGMKFINV-UHFFFAOYSA-N
MW580.78 g/mol
LogP12.68
Rot. Bonds4

About 2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane

2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane (PubChem CID 160942260) has the molecular formula C43H36N2 and a molecular weight of 580.78 g/mol. Its IUPAC name is 2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane.

Molecular Properties

Compound Name2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane
PubChem CID160942260
Molecular FormulaC43H36N2
Molecular Weight580.78 g/mol
Exact Mass580.29
IUPAC Name2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane
SMILESC.Cc1cc2c(cc1C)N(c1ccc(-c3ccccc3)cc1)c1cc3ccccc3cc1N2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C42H32N2.CH4/c1-29-25-39-40(26-30(29)2)44(38-23-19-34(20-24-38)32-13-7-4-8-14-32)42-28-36-16-10-9-15-35(36)27-41(42)43(39)37-21-17-33(18-22-37)31-11-5-3-6-12-31;/h3-28H,1-2H3;1H4
InChIKeySUQRWQYGMKFINV-UHFFFAOYSA-N
XLogP12.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.78
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2,3-dimethyl-5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]benzo[b]phenazin-12-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 20767452
5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole]
CID 58249847
N,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline
CID 155421129
10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine
CID 58556165
6,6,7,7,8,8,16,16,17,17,18,18-dodecamethyl-2,12-bis(4-phenylphenyl)-2,12-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene
CID 146581550
1,1'-biphenyl;ethane;naphthalene;1,2,4,5-tetramethylbenzene
CID 161332151
12,29-bis(4-phenylphenyl)-12,29-diazadecacyclo[16.16.2.11,13.118,30.02,11.04,9.019,28.021,26.017,38.034,37]octatriaconta-2,4,6,8,10,13,15,17(38),19,21,23,25,27,30,32,34(37)-hexadecaene
CID 169132268
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205
19-anthracen-2-yl-16,22-bis(4-phenylphenyl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4,6,8,10,12,14,17,19,21(37),23,25,27,29,31,33,35-heptadecaene
CID 170670400
2-[4-(3,4-dimethylphenyl)phenyl]isoindole-1,3-dione
CID 168518344
12,18-bis(4-phenylphenyl)-15-pyrimidin-2-yl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
CID 169072479
11-[4-[4-(5,6-dimethylbenzo[b][1]benzazepin-11-yl)phenyl]phenyl]-5,6-dimethylbenzo[b][1]benzazepine
CID 18740114

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane?
The IUPAC name of 2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane (CID 160942260) is 2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane.
What is the SMILES notation for 2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane?
The canonical SMILES for 2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane is C.Cc1cc2c(cc1C)N(c1ccc(-c3ccccc3)cc1)c1cc3ccccc3cc1N2c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane?
The InChIKey is SUQRWQYGMKFINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2.CH4/c1-29-25-39-40(26-30(29)2)44(38-23-19-34(20-24-38)32-13-7-4-8-14-32)42-28-36-16-10-9-15-35(36)27-41(42)43(39)37-21-17-33(18-22-37)31-11-5-3-6-12-31;/h3-28H,1-2H3;1H4.
What are the key properties of 2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane?
2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane has a molecular weight of 580.78 g/mol, XLogP of 12.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane is sourced from PubChem (CID 160942260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).