6,11-bis(2,4-dimethylphenyl)benzo[b]phenazine;6,11-bis(3,5-dimethylphenyl)benzo[b]phenazine

C64H52N4 — CID 165053841

IUPAC6,11-bis(2,4-dimethylphenyl)benzo[b]phenazine;6,11-bis(3,5-dimethylphenyl)benzo[b]phenazine
SMILESCc1cc(C)cc(-c2c3ccccc3c(-c3cc(C)cc(C)c3)c3nc4ccccc4nc23)c1.Cc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3C)c3nc4ccccc4nc23)c(C)c1
InChIInChI=1S/2C32H26N2/c1-19-13-20(2)16-23(15-19)29-25-9-5-6-10-26(25)30(24-17-21(3)14-22(4)18-24)32-31(29)33-27-11-7-8-12-28(27)34-32;1-19-13-15-23(21(3)17-19)29-25-9-5-6-10-26(25)30(24-16-14-20(2)18-22(24)4)32-31(29)33-27-11-7-8-12-28(27)34-32/h2*5-18H,1-4H3
InChIKeyQBWKQFSZCXHMTG-UHFFFAOYSA-N
MW877.15 g/mol
LogP17.01
Rot. Bonds4

About 6,11-bis(2,4-dimethylphenyl)benzo[b]phenazine;6,11-bis(3,5-dimethylphenyl)benzo[b]phenazine

6,11-bis(2,4-dimethylphenyl)benzo[b]phenazine;6,11-bis(3,5-dimethylphenyl)benzo[b]phenazine (PubChem CID 165053841) has the molecular formula C64H52N4 and a molecular weight of 877.15 g/mol. Its IUPAC name is 6,11-bis(2,4-dimethylphenyl)benzo[b]phenazine;6,11-bis(3,5-dimethylphenyl)benzo[b]phenazine.

Molecular Properties

Compound Name6,11-bis(2,4-dimethylphenyl)benzo[b]phenazine;6,11-bis(3,5-dimethylphenyl)benzo[b]phenazine
PubChem CID165053841
Molecular FormulaC64H52N4
Molecular Weight877.15 g/mol
Exact Mass876.42
IUPAC Name6,11-bis(2,4-dimethylphenyl)benzo[b]phenazine;6,11-bis(3,5-dimethylphenyl)benzo[b]phenazine
SMILESCc1cc(C)cc(-c2c3ccccc3c(-c3cc(C)cc(C)c3)c3nc4ccccc4nc23)c1.Cc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3C)c3nc4ccccc4nc23)c(C)c1
InChIInChI=1S/2C32H26N2/c1-19-13-20(2)16-23(15-19)29-25-9-5-6-10-26(25)30(24-17-21(3)14-22(4)18-24)32-31(29)33-27-11-7-8-12-28(27)34-32;1-19-13-15-23(21(3)17-19)29-25-9-5-6-10-26(25)30(24-16-14-20(2)18-22(24)4)32-31(29)33-27-11-7-8-12-28(27)34-32/h2*5-18H,1-4H3
InChIKeyQBWKQFSZCXHMTG-UHFFFAOYSA-N
XLogP17.01
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.15
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline
CID 86102330
1-(2,4-dimethylphenyl)-2,4-dimethylnaphthalene
CID 143438685
2-(2,4-dimethylphenyl)-4-phenylquinoline
CID 8966123
10-(2,4-dimethylphenyl)-1,3-dimethylanthracene
CID 44551760
4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 29293283
5,7-dimethylphenanthro[9,10-b]quinoxaline
CID 165358551
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
2-chloro-4-(2,4-dimethylphenyl)quinazoline
CID 170033242
2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline
CID 164939626
13,15-bis(4-methylphenyl)-3,10,18,25-tetrazaoctacyclo[14.14.2.02,11.04,9.012,32.017,26.019,24.027,31]dotriaconta-1(31),2,4,6,8,10,12(32),13,15,17,19,21,23,25,27,29-hexadecaene
CID 132596629
9,10-bis(7-methylnaphthalen-2-yl)anthracene
CID 140856010

Frequently Asked Questions

What is the IUPAC name of 6,11-bis(2,4-dimethylphenyl)benzo[b]phenazine;6,11-bis(3,5-dimethylphenyl)benzo[b]phenazine?
The IUPAC name of 6,11-bis(2,4-dimethylphenyl)benzo[b]phenazine;6,11-bis(3,5-dimethylphenyl)benzo[b]phenazine (CID 165053841) is 6,11-bis(2,4-dimethylphenyl)benzo[b]phenazine;6,11-bis(3,5-dimethylphenyl)benzo[b]phenazine.
What is the SMILES notation for 6,11-bis(2,4-dimethylphenyl)benzo[b]phenazine;6,11-bis(3,5-dimethylphenyl)benzo[b]phenazine?
The canonical SMILES for 6,11-bis(2,4-dimethylphenyl)benzo[b]phenazine;6,11-bis(3,5-dimethylphenyl)benzo[b]phenazine is Cc1cc(C)cc(-c2c3ccccc3c(-c3cc(C)cc(C)c3)c3nc4ccccc4nc23)c1.Cc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3C)c3nc4ccccc4nc23)c(C)c1.
What is the InChIKey of 6,11-bis(2,4-dimethylphenyl)benzo[b]phenazine;6,11-bis(3,5-dimethylphenyl)benzo[b]phenazine?
The InChIKey is QBWKQFSZCXHMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H26N2/c1-19-13-20(2)16-23(15-19)29-25-9-5-6-10-26(25)30(24-17-21(3)14-22(4)18-24)32-31(29)33-27-11-7-8-12-28(27)34-32;1-19-13-15-23(21(3)17-19)29-25-9-5-6-10-26(25)30(24-16-14-20(2)18-22(24)4)32-31(29)33-27-11-7-8-12-28(27)34-32/h2*5-18H,1-4H3.
What are the key properties of 6,11-bis(2,4-dimethylphenyl)benzo[b]phenazine;6,11-bis(3,5-dimethylphenyl)benzo[b]phenazine?
6,11-bis(2,4-dimethylphenyl)benzo[b]phenazine;6,11-bis(3,5-dimethylphenyl)benzo[b]phenazine has a molecular weight of 877.15 g/mol, XLogP of 17.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-bis(2,4-dimethylphenyl)benzo[b]phenazine;6,11-bis(3,5-dimethylphenyl)benzo[b]phenazine is sourced from PubChem (CID 165053841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).