10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene

C40H24N10 — CID 118104609

IUPAC10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
SMILESc1ccc(-n2c3ccccc3c3c4ncncc4n(-c4ccnc(-n5c6cncnc6c6c7ccccc7n(-c7ccccc7)c65)n4)c32)cc1
InChIInChI=1S/C40H24N10/c1-3-11-25(12-4-1)47-29-17-9-7-15-27(29)34-36-31(21-41-23-44-36)49(38(34)47)33-19-20-43-40(46-33)50-32-22-42-24-45-37(32)35-28-16-8-10-18-30(28)48(39(35)50)26-13-5-2-6-14-26/h1-24H
InChIKeyFVKHXUBUANYFHM-UHFFFAOYSA-N
MW644.70 g/mol
LogP8.14
Rot. Bonds4

About 10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene

10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene (PubChem CID 118104609) has the molecular formula C40H24N10 and a molecular weight of 644.70 g/mol. Its IUPAC name is 10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene.

Molecular Properties

Compound Name10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
PubChem CID118104609
Molecular FormulaC40H24N10
Molecular Weight644.70 g/mol
Exact Mass644.22
IUPAC Name10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
SMILESc1ccc(-n2c3ccccc3c3c4ncncc4n(-c4ccnc(-n5c6cncnc6c6c7ccccc7n(-c7ccccc7)c65)n4)c32)cc1
InChIInChI=1S/C40H24N10/c1-3-11-25(12-4-1)47-29-17-9-7-15-27(29)34-36-31(21-41-23-44-36)49(38(34)47)33-19-20-43-40(46-33)50-32-22-42-24-45-37(32)35-28-16-8-10-18-30(28)48(39(35)50)26-13-5-2-6-14-26/h1-24H
InChIKeyFVKHXUBUANYFHM-UHFFFAOYSA-N
XLogP8.14
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.70
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?
The IUPAC name of 10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene (CID 118104609) is 10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene.
What is the SMILES notation for 10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?
The canonical SMILES for 10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene is c1ccc(-n2c3ccccc3c3c4ncncc4n(-c4ccnc(-n5c6cncnc6c6c7ccccc7n(-c7ccccc7)c65)n4)c32)cc1.
What is the InChIKey of 10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?
The InChIKey is FVKHXUBUANYFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N10/c1-3-11-25(12-4-1)47-29-17-9-7-15-27(29)34-36-31(21-41-23-44-36)49(38(34)47)33-19-20-43-40(46-33)50-32-22-42-24-45-37(32)35-28-16-8-10-18-30(28)48(39(35)50)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?
10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene has a molecular weight of 644.70 g/mol, XLogP of 8.14, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-8-[2-(10-phenyl-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)pyrimidin-4-yl]-3,5,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene is sourced from PubChem (CID 118104609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).