8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C32H22N6 — CID 143310191

IUPAC8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC1=Cc2c(c3ccncc3n2-c2ccc(-c3ccc(-n4c5ccncc5c5ccncc54)cc3)cc2)CN1
InChIInChI=1S/C32H22N6/c1-5-23(37-29-11-15-33-17-27(29)25-9-13-35-19-31(25)37)6-2-21(1)22-3-7-24(8-4-22)38-30-12-16-34-18-28(30)26-10-14-36-20-32(26)38/h1-17,19-20,34H,18H2
InChIKeyFAWNUTFJJRSMLF-UHFFFAOYSA-N
MW490.57 g/mol
LogP6.65
Rot. Bonds3

About 8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 143310191) has the molecular formula C32H22N6 and a molecular weight of 490.57 g/mol. Its IUPAC name is 8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID143310191
Molecular FormulaC32H22N6
Molecular Weight490.57 g/mol
Exact Mass490.19
IUPAC Name8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC1=Cc2c(c3ccncc3n2-c2ccc(-c3ccc(-n4c5ccncc5c5ccncc54)cc3)cc2)CN1
InChIInChI=1S/C32H22N6/c1-5-23(37-29-11-15-33-17-27(29)25-9-13-35-19-31(25)37)6-2-21(1)22-3-7-24(8-4-22)38-30-12-16-34-18-28(30)26-10-14-36-20-32(26)38/h1-17,19-20,34H,18H2
InChIKeyFAWNUTFJJRSMLF-UHFFFAOYSA-N
XLogP6.65
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene
CID 163624546
8-[4-(4-methylphenyl)phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 143216225
5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 71021903
5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide
CID 145477210
5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole
CID 143035806
5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
CID 90336649
5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole
CID 59344150
5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole
CID 129299674
5-[4-(2-naphthalen-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole
CID 70940766
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
5-[6-[5-[3-[2-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-1,2-dihydropyridin-5-yl]-5-[6-[5-(1,2,8,9-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-3-pyridinyl]phenyl]-2-pyridinyl]-3-pyridinyl]pyrido[4,3-b]indole
CID 89010621
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 143310191) is 8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is C1=Cc2c(c3ccncc3n2-c2ccc(-c3ccc(-n4c5ccncc5c5ccncc54)cc3)cc2)CN1.
What is the InChIKey of 8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is FAWNUTFJJRSMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N6/c1-5-23(37-29-11-15-33-17-27(29)25-9-13-35-19-31(25)37)6-2-21(1)22-3-7-24(8-4-22)38-30-12-16-34-18-28(30)26-10-14-36-20-32(26)38/h1-17,19-20,34H,18H2.
What are the key properties of 8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 490.57 g/mol, XLogP of 6.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-8-yl)phenyl]phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 143310191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).