14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene

C31H21N7O — CID 4909064

IUPAC14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene
SMILESCc1nn(-c2ccccc2)c2c1C(c1cccnc1)c1c(ncn3nc(-c4cccc5ccccc45)nc13)O2
InChIInChI=1S/C31H21N7O/c1-19-25-26(21-11-8-16-32-17-21)27-29-34-28(24-15-7-10-20-9-5-6-14-23(20)24)36-37(29)18-33-30(27)39-31(25)38(35-19)22-12-3-2-4-13-22/h2-18,26H,1H3
InChIKeyVZCLLOGACKBRSD-UHFFFAOYSA-N
MW507.56 g/mol
LogP6.12
Rot. Bonds3

About 14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene

14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene (PubChem CID 4909064) has the molecular formula C31H21N7O and a molecular weight of 507.56 g/mol. Its IUPAC name is 14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene.

Molecular Properties

Compound Name14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene
PubChem CID4909064
Molecular FormulaC31H21N7O
Molecular Weight507.56 g/mol
Exact Mass507.18
IUPAC Name14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene
SMILESCc1nn(-c2ccccc2)c2c1C(c1cccnc1)c1c(ncn3nc(-c4cccc5ccccc45)nc13)O2
InChIInChI=1S/C31H21N7O/c1-19-25-26(21-11-8-16-32-17-21)27-29-34-28(24-15-7-10-20-9-5-6-14-23(20)24)36-37(29)18-33-30(27)39-31(25)38(35-19)22-12-3-2-4-13-22/h2-18,26H,1H3
InChIKeyVZCLLOGACKBRSD-UHFFFAOYSA-N
XLogP6.12
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.56
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene?
The IUPAC name of 14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene (CID 4909064) is 14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene.
What is the SMILES notation for 14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene?
The canonical SMILES for 14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene is Cc1nn(-c2ccccc2)c2c1C(c1cccnc1)c1c(ncn3nc(-c4cccc5ccccc45)nc13)O2.
What is the InChIKey of 14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene?
The InChIKey is VZCLLOGACKBRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N7O/c1-19-25-26(21-11-8-16-32-17-21)27-29-34-28(24-15-7-10-20-9-5-6-14-23(20)24)36-37(29)18-33-30(27)39-31(25)38(35-19)22-12-3-2-4-13-22/h2-18,26H,1H3.
What are the key properties of 14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene?
14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene has a molecular weight of 507.56 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-4-naphthalen-1-yl-12-phenyl-16-pyridin-3-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene is sourced from PubChem (CID 4909064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).