9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene

C45H29N5 — CID 154621613

IUPAC9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
SMILESc1ccc(-c2cn3cc(-c4ccc(-c5c(-c6ccccc6)nc6c7c(ccn56)c(-c5ccccc5)nc5ccccc57)cc4)ccc3n2)cc1
InChIInChI=1S/C45H29N5/c1-4-12-31(13-5-1)39-29-49-28-35(24-25-40(49)46-39)30-20-22-34(23-21-30)44-43(33-16-8-3-9-17-33)48-45-41-36-18-10-11-19-38(36)47-42(32-14-6-2-7-15-32)37(41)26-27-50(44)45/h1-29H
InChIKeyOEMNIBCJNZXWBA-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.02
Rot. Bonds5

About 9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene

9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene (PubChem CID 154621613) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene.

Molecular Properties

Compound Name9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
PubChem CID154621613
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
SMILESc1ccc(-c2cn3cc(-c4ccc(-c5c(-c6ccccc6)nc6c7c(ccn56)c(-c5ccccc5)nc5ccccc57)cc4)ccc3n2)cc1
InChIInChI=1S/C45H29N5/c1-4-12-31(13-5-1)39-29-49-28-35(24-25-40(49)46-39)30-20-22-34(23-21-30)44-43(33-16-8-3-9-17-33)48-45-41-36-18-10-11-19-38(36)47-42(32-14-6-2-7-15-32)37(41)26-27-50(44)45/h1-29H
InChIKeyOEMNIBCJNZXWBA-UHFFFAOYSA-N
XLogP11.02
TPSA47.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene with MolForge

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Related Compounds

14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123323
14-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 159830716
9-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 154621697
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 154621767
5-(2,6-diphenylpyrimidin-4-yl)-9,15-diphenyl-14-(3-phenylphenyl)-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene
CID 154621787
15-phenyl-9-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 154621636
5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene
CID 149327243
15-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 154621785
14-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 154621742
14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123692
6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
CID 89089695
6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine
CID 122665237

Frequently Asked Questions

What is the IUPAC name of 9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene?
The IUPAC name of 9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene (CID 154621613) is 9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene.
What is the SMILES notation for 9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene?
The canonical SMILES for 9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene is c1ccc(-c2cn3cc(-c4ccc(-c5c(-c6ccccc6)nc6c7c(ccn56)c(-c5ccccc5)nc5ccccc57)cc4)ccc3n2)cc1.
What is the InChIKey of 9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene?
The InChIKey is OEMNIBCJNZXWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-4-12-31(13-5-1)39-29-49-28-35(24-25-40(49)46-39)30-20-22-34(23-21-30)44-43(33-16-8-3-9-17-33)48-45-41-36-18-10-11-19-38(36)47-42(32-14-6-2-7-15-32)37(41)26-27-50(44)45/h1-29H.
What are the key properties of 9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene?
9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene has a molecular weight of 639.76 g/mol, XLogP of 11.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene is sourced from PubChem (CID 154621613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).