5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine

C42H48N4 — CID 173381467

IUPAC5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine
SMILESc1ccc(N2C3CCCCC3N(c3ccccc3)C3CC4C(CC32)N(c2ccccc2)C2CCCCC2N4c2ccccc2)cc1
InChIInChI=1S/C42H48N4/c1-5-17-31(18-6-1)43-35-25-13-14-26-36(35)44(32-19-7-2-8-20-32)40-30-42-41(29-39(40)43)45(33-21-9-3-10-22-33)37-27-15-16-28-38(37)46(42)34-23-11-4-12-24-34/h1-12,17-24,35-42H,13-16,25-30H2
InChIKeyCISVEWQZWNKFKK-UHFFFAOYSA-N
MW608.87 g/mol
LogP8.93
Rot. Bonds4

About 5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine

5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine (PubChem CID 173381467) has the molecular formula C42H48N4 and a molecular weight of 608.87 g/mol. Its IUPAC name is 5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine.

Molecular Properties

Compound Name5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine
PubChem CID173381467
Molecular FormulaC42H48N4
Molecular Weight608.87 g/mol
Exact Mass608.39
IUPAC Name5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine
SMILESc1ccc(N2C3CCCCC3N(c3ccccc3)C3CC4C(CC32)N(c2ccccc2)C2CCCCC2N4c2ccccc2)cc1
InChIInChI=1S/C42H48N4/c1-5-17-31(18-6-1)43-35-25-13-14-26-36(35)44(32-19-7-2-8-20-32)40-30-42-41(29-39(40)43)45(33-21-9-3-10-22-33)37-27-15-16-28-38(37)46(42)34-23-11-4-12-24-34/h1-12,17-24,35-42H,13-16,25-30H2
InChIKeyCISVEWQZWNKFKK-UHFFFAOYSA-N
XLogP8.93
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.87
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine with MolForge

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Related Compounds

12,18,22,28-tetraphenyl-1,5,8,12,18,20,22,28-octazanonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriacontane
CID 174101726
15-N,15-N,25-N,25-N,12,22,28-heptakis-phenyl-18-oxa-1,5,12,22,28-pentazanonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriacontane-15,25-diamine
CID 174085706
8-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739086
N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106031
18-(2,6-diphenylphenyl)-15-N,15-N,25-N,25-N-tetrakis(2-ethylphenyl)-12,22,28-triphenyl-1,5,12,18,22,28-hexazanonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriacontane-15,25-diamine
CID 165041450
1-methyl-3-phenyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole
CID 20749032
7-(4-nitrophenyl)-7-azabicyclo[4.1.0]heptane
CID 15469334
2-cyclohexyl-1-phenylpiperidine
CID 11736671
(1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione
CID 101481235
6-phenyl-3,6-diazabicyclo[3.1.1]heptane
CID 134243168
2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane
CID 123946748
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Frequently Asked Questions

What is the IUPAC name of 5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine?
The IUPAC name of 5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine (CID 173381467) is 5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine.
What is the SMILES notation for 5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine?
The canonical SMILES for 5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine is c1ccc(N2C3CCCCC3N(c3ccccc3)C3CC4C(CC32)N(c2ccccc2)C2CCCCC2N4c2ccccc2)cc1.
What is the InChIKey of 5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine?
The InChIKey is CISVEWQZWNKFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48N4/c1-5-17-31(18-6-1)43-35-25-13-14-26-36(35)44(32-19-7-2-8-20-32)40-30-42-41(29-39(40)43)45(33-21-9-3-10-22-33)37-27-15-16-28-38(37)46(42)34-23-11-4-12-24-34/h1-12,17-24,35-42H,13-16,25-30H2.
What are the key properties of 5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine?
5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine has a molecular weight of 608.87 g/mol, XLogP of 8.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine is sourced from PubChem (CID 173381467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).