13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene

C55H55N5 — CID 165384537

IUPAC13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
SMILESCC1CCC(N2C=CN(c3ccc4c(c3)C(c3ccccc3)(c3cccc(N5CN(C6CCC(C)CC6)c6ccccc65)c3)c3cccc5c6ccccc6n-4c35)C2)CC1
InChIInChI=1S/C55H55N5/c1-38-22-26-42(27-23-38)56-32-33-57(36-56)44-30-31-51-49(35-44)55(40-12-4-3-5-13-40,48-18-11-17-47-46-16-6-7-19-50(46)60(51)54(47)48)41-14-10-15-45(34-41)59-37-58(43-28-24-39(2)25-29-43)52-20-8-9-21-53(52)59/h3-21,30-35,38-39,42-43H,22-29,36-37H2,1-2H3
InChIKeyXHYCQMPZXVMCDB-UHFFFAOYSA-N
MW786.08 g/mol
LogP13.10
Rot. Bonds6

About 13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene

13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene (PubChem CID 165384537) has the molecular formula C55H55N5 and a molecular weight of 786.08 g/mol. Its IUPAC name is 13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
PubChem CID165384537
Molecular FormulaC55H55N5
Molecular Weight786.08 g/mol
Exact Mass785.45
IUPAC Name13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
SMILESCC1CCC(N2C=CN(c3ccc4c(c3)C(c3ccccc3)(c3cccc(N5CN(C6CCC(C)CC6)c6ccccc65)c3)c3cccc5c6ccccc6n-4c35)C2)CC1
InChIInChI=1S/C55H55N5/c1-38-22-26-42(27-23-38)56-32-33-57(36-56)44-30-31-51-49(35-44)55(40-12-4-3-5-13-40,48-18-11-17-47-46-16-6-7-19-50(46)60(51)54(47)48)41-14-10-15-45(34-41)59-37-58(43-28-24-39(2)25-29-43)52-20-8-9-21-53(52)59/h3-21,30-35,38-39,42-43H,22-29,36-37H2,1-2H3
InChIKeyXHYCQMPZXVMCDB-UHFFFAOYSA-N
XLogP13.10
TPSA17.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.08
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene with MolForge

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Related Compounds

13-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-1-yl)phenyl]-16-(3-methyl-2H-benzimidazol-1-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 165384688
13-(4-chlorophenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 139340772
13,13-diphenyl-5-(9,9,10-triphenylacridin-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 71036448
13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 140853285
methane;9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 158348177
2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 167401631
N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135167982
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
13-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145273125
13-phenyl-13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145273077
3',6'-di(carbazol-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 167177349
3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole
CID 167052712

Frequently Asked Questions

What is the IUPAC name of 13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene?
The IUPAC name of 13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene (CID 165384537) is 13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene.
What is the SMILES notation for 13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene?
The canonical SMILES for 13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene is CC1CCC(N2C=CN(c3ccc4c(c3)C(c3ccccc3)(c3cccc(N5CN(C6CCC(C)CC6)c6ccccc65)c3)c3cccc5c6ccccc6n-4c35)C2)CC1.
What is the InChIKey of 13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene?
The InChIKey is XHYCQMPZXVMCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H55N5/c1-38-22-26-42(27-23-38)56-32-33-57(36-56)44-30-31-51-49(35-44)55(40-12-4-3-5-13-40,48-18-11-17-47-46-16-6-7-19-50(46)60(51)54(47)48)41-14-10-15-45(34-41)59-37-58(43-28-24-39(2)25-29-43)52-20-8-9-21-53(52)59/h3-21,30-35,38-39,42-43H,22-29,36-37H2,1-2H3.
What are the key properties of 13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene?
13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene has a molecular weight of 786.08 g/mol, XLogP of 13.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[3-[3-(4-methylcyclohexyl)-2H-benzimidazol-1-yl]phenyl]-16-[3-(4-methylcyclohexyl)-2H-imidazol-1-yl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene is sourced from PubChem (CID 165384537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).