12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

C38H27N3 — CID 122464575

IUPAC12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccc3ccccc3c2-c2ccc3c4ccccc4n(-c4nc5ccccc5n4-c4ccccc4)c3c21
InChIInChI=1S/C38H27N3/c1-38(2)30-23-20-24-12-6-7-15-26(24)34(30)29-22-21-28-27-16-8-10-18-32(27)41(36(28)35(29)38)37-39-31-17-9-11-19-33(31)40(37)25-13-4-3-5-14-25/h3-23H,1-2H3
InChIKeyYTPZZKIHIRTEOM-UHFFFAOYSA-N
MW525.66 g/mol
LogP9.58
Rot. Bonds2

About 12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (PubChem CID 122464575) has the molecular formula C38H27N3 and a molecular weight of 525.66 g/mol. Its IUPAC name is 12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
PubChem CID122464575
Molecular FormulaC38H27N3
Molecular Weight525.66 g/mol
Exact Mass525.22
IUPAC Name12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccc3ccccc3c2-c2ccc3c4ccccc4n(-c4nc5ccccc5n4-c4ccccc4)c3c21
InChIInChI=1S/C38H27N3/c1-38(2)30-23-20-24-12-6-7-15-26(24)34(30)29-22-21-28-27-16-8-10-18-32(27)41(36(28)35(29)38)37-39-31-17-9-11-19-33(31)40(37)25-13-4-3-5-14-25/h3-23H,1-2H3
InChIKeyYTPZZKIHIRTEOM-UHFFFAOYSA-N
XLogP9.58
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

2-(12,12-dimethyl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-15-yl)-1,3-benzoxazole
CID 122464499
12,12-dimethyl-15-pyridin-2-yl-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122464128
14,14-dimethyl-9-(1-phenylbenzimidazol-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 122464578
16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,15(23),17,19,21,24-undecaene
CID 163452696
14,14-dimethyl-9-naphthalen-1-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-naphthalen-1-ylindeno[1,2-a]carbazole;7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazole;10,10-dimethyl-5-naphthalen-1-ylindeno[1,2-b]indole;12,12-dimethyl-5-naphthalen-1-ylindeno[1,2-c]carbazole;14,14-dimethyl-9-(1-phenylbenzimidazol-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-(1-phenylbenzimidazol-2-yl)indeno[1,2-a]carbazole;7,7-dimethyl-5-(1-phenylbenzimidazol-2-yl)indeno[2,1-b]carbazole;10,10-dimethyl-5-phenylindeno[1,2-b]indole;12,12-dimethyl-5-phenylindeno[1,2-c]carbazole
CID 157441203
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
CID 122524092
2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 67473689
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
25,25-dimethylhexacyclo[12.11.0.02,11.05,10.015,24.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;ethane
CID 90810570
12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole
CID 118501967
12,12-dimethyl-11-(1-methylbenzimidazol-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-naphthalen-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenylindeno[2,1-a]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 157451111
12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole
CID 90324779

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The IUPAC name of 12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (CID 122464575) is 12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The canonical SMILES for 12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is CC1(C)c2ccc3ccccc3c2-c2ccc3c4ccccc4n(-c4nc5ccccc5n4-c4ccccc4)c3c21.
What is the InChIKey of 12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The InChIKey is YTPZZKIHIRTEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3/c1-38(2)30-23-20-24-12-6-7-15-26(24)34(30)29-22-21-28-27-16-8-10-18-32(27)41(36(28)35(29)38)37-39-31-17-9-11-19-33(31)40(37)25-13-4-3-5-14-25/h3-23H,1-2H3.
What are the key properties of 12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene has a molecular weight of 525.66 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-15-(1-phenylbenzimidazol-2-yl)-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 122464575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).