9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene

C41H26N4 — CID 122465284

IUPAC9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
SMILESc1ccc(-n2cnc3c(-n4c5ccccc5c5c6c(ccc7c6c6ccccc6n7-c6ccccc6)ccc54)cccc32)cc1
InChIInChI=1S/C41H26N4/c1-3-12-28(13-4-1)43-26-42-41-36(43)20-11-21-37(41)45-33-19-10-8-17-31(33)40-35(45)25-23-27-22-24-34-39(38(27)40)30-16-7-9-18-32(30)44(34)29-14-5-2-6-15-29/h1-26H
InChIKeySJVGLMMXTDOAHW-UHFFFAOYSA-N
MW574.69 g/mol
LogP10.37
Rot. Bonds3

About 9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene

9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene (PubChem CID 122465284) has the molecular formula C41H26N4 and a molecular weight of 574.69 g/mol. Its IUPAC name is 9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene.

Molecular Properties

Compound Name9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
PubChem CID122465284
Molecular FormulaC41H26N4
Molecular Weight574.69 g/mol
Exact Mass574.22
IUPAC Name9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
SMILESc1ccc(-n2cnc3c(-n4c5ccccc5c5c6c(ccc7c6c6ccccc6n7-c6ccccc6)ccc54)cccc32)cc1
InChIInChI=1S/C41H26N4/c1-3-12-28(13-4-1)43-26-42-41-36(43)20-11-21-37(41)45-33-19-10-8-17-31(33)40-35(45)25-23-27-22-24-34-39(38(27)40)30-16-7-9-18-32(30)44(34)29-14-5-2-6-15-29/h1-26H
InChIKeySJVGLMMXTDOAHW-UHFFFAOYSA-N
XLogP10.37
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene with MolForge

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Related Compounds

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CID 122465154
10,18,27-triphenyl-10,18,27-triazaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19(31),20(28),21,23,25,29-tetradecaene
CID 146610783
2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole
CID 131979777
9-phenyl-14-pyrimidin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038360
4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene
CID 90249088
15-dibenzofuran-1-yl-10,20-diphenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 174349977
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25-(3-carbazol-9-ylphenyl)-10-(4-phenylphenyl)-10,25-diazaheptacyclo[15.11.0.02,14.03,11.04,9.018,26.019,24]octacosa-1(17),2(14),3(11),4,6,8,12,15,18(26),19,21,23,27-tridecaene
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10,10-dimethyl-5-(1-phenylbenzimidazol-4-yl)indeno[1,2-b]indole
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1-phenylbenzimidazol-4-olate
CID 22090442
9-phenyl-14-[10-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)anthracen-9-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170394033

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
The IUPAC name of 9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene (CID 122465284) is 9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene.
What is the SMILES notation for 9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
The canonical SMILES for 9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene is c1ccc(-n2cnc3c(-n4c5ccccc5c5c6c(ccc7c6c6ccccc6n7-c6ccccc6)ccc54)cccc32)cc1.
What is the InChIKey of 9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
The InChIKey is SJVGLMMXTDOAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4/c1-3-12-28(13-4-1)43-26-42-41-36(43)20-11-21-37(41)45-33-19-10-8-17-31(33)40-35(45)25-23-27-22-24-34-39(38(27)40)30-16-7-9-18-32(30)44(34)29-14-5-2-6-15-29/h1-26H.
What are the key properties of 9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene has a molecular weight of 574.69 g/mol, XLogP of 10.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene is sourced from PubChem (CID 122465284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).