1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole

C52H38N4 — CID 143616453

IUPAC1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole
SMILESCC1(C)c2ccc3c(-c4nc5ccccc5n4-c4ccccc4)ccc4c3c2-c2c(ccc3c(-c5nc6ccccc6n5-c5ccccc5)ccc1c23)C4(C)C
InChIInChI=1S/C52H38N4/c1-51(2)37-29-25-35(49-53-41-19-11-13-21-43(41)55(49)31-15-7-5-8-16-31)33-24-28-40-48(45(33)37)47-39(51)27-23-34-36(26-30-38(46(34)47)52(40,3)4)50-54-42-20-12-14-22-44(42)56(50)32-17-9-6-10-18-32/h5-30H,1-4H3
InChIKeyBXKHOBACFNIIEG-UHFFFAOYSA-N
MW718.90 g/mol
LogP12.95
Rot. Bonds4

About 1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole

1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole (PubChem CID 143616453) has the molecular formula C52H38N4 and a molecular weight of 718.90 g/mol. Its IUPAC name is 1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole
PubChem CID143616453
Molecular FormulaC52H38N4
Molecular Weight718.90 g/mol
Exact Mass718.31
IUPAC Name1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole
SMILESCC1(C)c2ccc3c(-c4nc5ccccc5n4-c4ccccc4)ccc4c3c2-c2c(ccc3c(-c5nc6ccccc6n5-c5ccccc5)ccc1c23)C4(C)C
InChIInChI=1S/C52H38N4/c1-51(2)37-29-25-35(49-53-41-19-11-13-21-43(41)55(49)31-15-7-5-8-16-31)33-24-28-40-48(45(33)37)47-39(51)27-23-34-36(26-30-38(46(34)47)52(40,3)4)50-54-42-20-12-14-22-44(42)56(50)32-17-9-6-10-18-32/h5-30H,1-4H3
InChIKeyBXKHOBACFNIIEG-UHFFFAOYSA-N
XLogP12.95
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole (CID 143616453) is 1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole is CC1(C)c2ccc3c(-c4nc5ccccc5n4-c4ccccc4)ccc4c3c2-c2c(ccc3c(-c5nc6ccccc6n5-c5ccccc5)ccc1c23)C4(C)C.
What is the InChIKey of 1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole?
The InChIKey is BXKHOBACFNIIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4/c1-51(2)37-29-25-35(49-53-41-19-11-13-21-43(41)55(49)31-15-7-5-8-16-31)33-24-28-40-48(45(33)37)47-39(51)27-23-34-36(26-30-38(46(34)47)52(40,3)4)50-54-42-20-12-14-22-44(42)56(50)32-17-9-6-10-18-32/h5-30H,1-4H3.
What are the key properties of 1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole?
1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole has a molecular weight of 718.90 g/mol, XLogP of 12.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[12,12,22,22-tetramethyl-16-(1-phenylbenzimidazol-2-yl)-7-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaenyl]benzimidazole is sourced from PubChem (CID 143616453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).