10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene

C51H33N5 — CID 90267592

IUPAC10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene
SMILESc1ccc(-n2ccc3cc4c(cc32)c2cc3c5ccccc5n(-c5ccccc5)c3cc2n4-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C51H33N5/c1-4-14-36(15-5-1)53-29-28-35-30-48-43(32-47(35)53)42-31-41-40-20-10-12-22-45(40)54(37-16-6-2-7-17-37)49(41)33-50(42)55(48)39-26-24-34(25-27-39)51-52-44-21-11-13-23-46(44)56(51)38-18-8-3-9-19-38/h1-33H
InChIKeyAJRLENXPPBABNY-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.83
Rot. Bonds5

About 10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene

10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene (PubChem CID 90267592) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene.

Molecular Properties

Compound Name10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene
PubChem CID90267592
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene
SMILESc1ccc(-n2ccc3cc4c(cc32)c2cc3c5ccccc5n(-c5ccccc5)c3cc2n4-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C51H33N5/c1-4-14-36(15-5-1)53-29-28-35-30-48-43(32-47(35)53)42-31-41-40-20-10-12-22-45(40)54(37-16-6-2-7-17-37)49(41)33-50(42)55(48)39-26-24-34(25-27-39)51-52-44-21-11-13-23-46(44)56(51)38-18-8-3-9-19-38/h1-33H
InChIKeyAJRLENXPPBABNY-UHFFFAOYSA-N
XLogP12.83
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene with MolForge

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Related Compounds

9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,18-diphenyl-10,14,18-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 90267307
3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
10-(4-carbazol-9-ylphenyl)-18-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222800
19-phenyl-23-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9-thia-19,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene
CID 90267532
N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267289
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
9-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-b]carbazole
CID 123904133
9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062780
23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene
CID 90267570
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062784

Frequently Asked Questions

What is the IUPAC name of 10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene?
The IUPAC name of 10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene (CID 90267592) is 10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene.
What is the SMILES notation for 10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene?
The canonical SMILES for 10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene is c1ccc(-n2ccc3cc4c(cc32)c2cc3c5ccccc5n(-c5ccccc5)c3cc2n4-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1.
What is the InChIKey of 10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene?
The InChIKey is AJRLENXPPBABNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-4-14-36(15-5-1)53-29-28-35-30-48-43(32-47(35)53)42-31-41-40-20-10-12-22-45(40)54(37-16-6-2-7-17-37)49(41)33-50(42)55(48)39-26-24-34(25-27-39)51-52-44-21-11-13-23-46(44)56(51)38-18-8-3-9-19-38/h1-33H.
What are the key properties of 10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene?
10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene has a molecular weight of 715.86 g/mol, XLogP of 12.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,20-diphenyl-14-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,14,20-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,21-decaene is sourced from PubChem (CID 90267592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).