1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole

C47H34N2 — CID 58260538

IUPAC1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole
SMILESCC1(C)c2cc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc3c2-c2c1cc1c4c(ccc(c24)C3(C)C)-c2ccccc2-1
InChIInChI=1S/C47H34N2/c1-46(2)35-23-22-33-31-14-8-9-15-32(31)34-26-38-44(43(35)41(33)34)42-36(46)24-29(25-37(42)47(38,3)4)27-18-20-28(21-19-27)45-48-39-16-10-11-17-40(39)49(45)30-12-6-5-7-13-30/h5-26H,1-4H3
InChIKeyWEIYCCDOCXSABW-UHFFFAOYSA-N
MW626.80 g/mol
LogP12.11
Rot. Bonds3

About 1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole

1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole (PubChem CID 58260538) has the molecular formula C47H34N2 and a molecular weight of 626.80 g/mol. Its IUPAC name is 1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole
PubChem CID58260538
Molecular FormulaC47H34N2
Molecular Weight626.80 g/mol
Exact Mass626.27
IUPAC Name1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole
SMILESCC1(C)c2cc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc3c2-c2c1cc1c4c(ccc(c24)C3(C)C)-c2ccccc2-1
InChIInChI=1S/C47H34N2/c1-46(2)35-23-22-33-31-14-8-9-15-32(31)34-26-38-44(43(35)41(33)34)42-36(46)24-29(25-37(42)47(38,3)4)27-18-20-28(21-19-27)45-48-39-16-10-11-17-40(39)49(45)30-12-6-5-7-13-30/h5-26H,1-4H3
InChIKeyWEIYCCDOCXSABW-UHFFFAOYSA-N
XLogP12.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.80
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole with MolForge

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Related Compounds

2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
2-phenyl-1-[4-(13,13,22,22-tetramethyl-16-hexacyclo[16.3.1.03,8.09,21.012,20.014,19]docosa-1,3,5,7,9(21),10,12(20),14(19),15,17-decaenyl)phenyl]benzimidazole
CID 58260544
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine
CID 155473648
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-1-phenylbenzimidazole
CID 146495261
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
1-phenyl-2-[4-(5,5,10,10-tetramethyl-2-naphthalen-2-ylindeno[2,1-a]inden-7-yl)phenyl]benzimidazole
CID 90068469
2-[4-[10,10-dimethyl-14,21-bis(4-phenylphenyl)-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411779
1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941
2-[4-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411797
2-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-1-phenylbenzimidazole
CID 118472824
2-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]-1-phenylbenzimidazole
CID 58411752

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole (CID 58260538) is 1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole is CC1(C)c2cc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc3c2-c2c1cc1c4c(ccc(c24)C3(C)C)-c2ccccc2-1.
What is the InChIKey of 1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole?
The InChIKey is WEIYCCDOCXSABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2/c1-46(2)35-23-22-33-31-14-8-9-15-32(31)34-26-38-44(43(35)41(33)34)42-36(46)24-29(25-37(42)47(38,3)4)27-18-20-28(21-19-27)45-48-39-16-10-11-17-40(39)49(45)30-12-6-5-7-13-30/h5-26H,1-4H3.
What are the key properties of 1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole?
1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole has a molecular weight of 626.80 g/mol, XLogP of 12.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-(9,9,24,24-tetramethyl-6-heptacyclo[10.10.1.14,22.02,10.03,8.013,18.019,23]tetracosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaenyl)phenyl]benzimidazole is sourced from PubChem (CID 58260538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).