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

C47H33N5 — CID 154621742

IUPAC14-[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
SMILESCCc1nc2ccccc2n1-c1ccc(-c2ccc(-c3c(-c4ccccc4)nc4c5c(ccn34)c(-c3ccccc3)nc3ccccc35)cc2)cc1
InChIInChI=1S/C47H33N5/c1-2-42-48-40-19-11-12-20-41(40)52(42)36-27-25-32(26-28-36)31-21-23-35(24-22-31)46-45(34-15-7-4-8-16-34)50-47-43-37-17-9-10-18-39(37)49-44(33-13-5-3-6-14-33)38(43)29-30-51(46)47/h3-30H,2H2,1H3
InChIKeyKCGHKTMMULBXIS-UHFFFAOYSA-N
MW667.82 g/mol
LogP11.60
Rot. Bonds6

About 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

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 (PubChem CID 154621742) has the molecular formula C47H33N5 and a molecular weight of 667.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-[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
PubChem CID154621742
Molecular FormulaC47H33N5
Molecular Weight667.82 g/mol
Exact Mass667.27
IUPAC Name14-[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
SMILESCCc1nc2ccccc2n1-c1ccc(-c2ccc(-c3c(-c4ccccc4)nc4c5c(ccn34)c(-c3ccccc3)nc3ccccc35)cc2)cc1
InChIInChI=1S/C47H33N5/c1-2-42-48-40-19-11-12-20-41(40)52(42)36-27-25-32(26-28-36)31-21-23-35(24-22-31)46-45(34-15-7-4-8-16-34)50-47-43-37-17-9-10-18-39(37)49-44(33-13-5-3-6-14-33)38(43)29-30-51(46)47/h3-30H,2H2,1H3
InChIKeyKCGHKTMMULBXIS-UHFFFAOYSA-N
XLogP11.60
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.82
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

9-[4-(2-ethylbenzimidazol-1-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 154621771
22-[4-(2-ethylbenzimidazol-1-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475087
14-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]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;14-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]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;14-[4-(2-ethylbenzimidazol-1-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;14-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]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;14-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]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 161026372
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
14-[3-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]
CID 130394282
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
2-ethyl-1-[4-[3-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166042959
2-ethyl-4-[4-[3-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine
CID 160532793
2-ethyl-1-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 153433793
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 160637749
CID 174118971
CID 174118971

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2ccccc2n1-c1ccc(-c2ccc(-c3c(-c4ccccc4)nc4c5c(ccn34)c(-c3ccccc3)nc3ccccc35)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is KCGHKTMMULBXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N5/c1-2-42-48-40-19-11-12-20-41(40)52(42)36-27-25-32(26-28-36)31-21-23-35(24-22-31)46-45(34-15-7-4-8-16-34)50-47-43-37-17-9-10-18-39(37)49-44(33-13-5-3-6-14-33)38(43)29-30-51(46)47/h3-30H,2H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 667.82 g/mol, XLogP of 11.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154621742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).