5,12-dinaphthalen-2-ylbenzo[b]phenazine

C36H24N2 — CID 20767407

IUPAC5,12-dinaphthalen-2-ylbenzo[b]phenazine
SMILESc1ccc2c(c1)N(c1ccc3ccccc3c1)c1cc3ccccc3cc1N2c1ccc2ccccc2c1
InChIInChI=1S/C36H24N2/c1-3-11-27-21-31(19-17-25(27)9-1)37-33-15-7-8-16-34(33)38(32-20-18-26-10-2-4-12-28(26)22-32)36-24-30-14-6-5-13-29(30)23-35(36)37/h1-24H
InChIKeyPZTBHKLLOBBDJO-UHFFFAOYSA-N
MW484.60 g/mol
LogP10.40
Rot. Bonds2

About 5,12-dinaphthalen-2-ylbenzo[b]phenazine

5,12-dinaphthalen-2-ylbenzo[b]phenazine (PubChem CID 20767407) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 5,12-dinaphthalen-2-ylbenzo[b]phenazine.

Molecular Properties

Compound Name5,12-dinaphthalen-2-ylbenzo[b]phenazine
PubChem CID20767407
Molecular FormulaC36H24N2
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC Name5,12-dinaphthalen-2-ylbenzo[b]phenazine
SMILESc1ccc2c(c1)N(c1ccc3ccccc3c1)c1cc3ccccc3cc1N2c1ccc2ccccc2c1
InChIInChI=1S/C36H24N2/c1-3-11-27-21-31(19-17-25(27)9-1)37-33-15-7-8-16-34(33)38(32-20-18-26-10-2-4-12-28(26)22-32)36-24-30-14-6-5-13-29(30)23-35(36)37/h1-24H
InChIKeyPZTBHKLLOBBDJO-UHFFFAOYSA-N
XLogP10.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,12-dinaphthalen-2-ylbenzo[b]phenazine?
The IUPAC name of 5,12-dinaphthalen-2-ylbenzo[b]phenazine (CID 20767407) is 5,12-dinaphthalen-2-ylbenzo[b]phenazine.
What is the SMILES notation for 5,12-dinaphthalen-2-ylbenzo[b]phenazine?
The canonical SMILES for 5,12-dinaphthalen-2-ylbenzo[b]phenazine is c1ccc2c(c1)N(c1ccc3ccccc3c1)c1cc3ccccc3cc1N2c1ccc2ccccc2c1.
What is the InChIKey of 5,12-dinaphthalen-2-ylbenzo[b]phenazine?
The InChIKey is PZTBHKLLOBBDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2/c1-3-11-27-21-31(19-17-25(27)9-1)37-33-15-7-8-16-34(33)38(32-20-18-26-10-2-4-12-28(26)22-32)36-24-30-14-6-5-13-29(30)23-35(36)37/h1-24H.
What are the key properties of 5,12-dinaphthalen-2-ylbenzo[b]phenazine?
5,12-dinaphthalen-2-ylbenzo[b]phenazine has a molecular weight of 484.60 g/mol, XLogP of 10.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dinaphthalen-2-ylbenzo[b]phenazine is sourced from PubChem (CID 20767407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).