2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole

C50H32N2O2 — CID 138574311

IUPAC2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3cccc(-c4ccc5c(c4)Oc4cc6c(cc4O5)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)nc3ccccc32)cc1
InChIInChI=1S/C50H32N2O2/c1-4-17-36(18-5-1)50(37-19-6-2-7-20-37)41-24-11-10-23-39(41)40-31-47-48(32-42(40)50)53-45-28-27-34(30-46(45)54-47)33-15-14-16-35(29-33)49-51-43-25-12-13-26-44(43)52(49)38-21-8-3-9-22-38/h1-32H
InChIKeySVAUXZBRFCHAMS-UHFFFAOYSA-N
MW692.82 g/mol
LogP12.62
Rot. Bonds5

About 2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole

2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 138574311) has the molecular formula C50H32N2O2 and a molecular weight of 692.82 g/mol. Its IUPAC name is 2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole
PubChem CID138574311
Molecular FormulaC50H32N2O2
Molecular Weight692.82 g/mol
Exact Mass692.25
IUPAC Name2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3cccc(-c4ccc5c(c4)Oc4cc6c(cc4O5)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)nc3ccccc32)cc1
InChIInChI=1S/C50H32N2O2/c1-4-17-36(18-5-1)50(37-19-6-2-7-20-37)41-24-11-10-23-39(41)40-31-47-48(32-42(40)50)53-45-28-27-34(30-46(45)54-47)33-15-14-16-35(29-33)49-51-43-25-12-13-26-44(43)52(49)38-21-8-3-9-22-38/h1-32H
InChIKeySVAUXZBRFCHAMS-UHFFFAOYSA-N
XLogP12.62
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole with MolForge

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Related Compounds

1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]benzimidazole
CID 164783663
2-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 138573974
2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 142453614
10,10-diphenyl-21-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129123975
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)phenyl]-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138573346
5-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 155157174
2-[6-(7-methyl-9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
CID 58894769
4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]benzonitrile
CID 138573885
5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline
CID 142453647
2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 58471989
4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-2-phenylquinazoline
CID 138573827

Frequently Asked Questions

What is the IUPAC name of 2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole (CID 138574311) is 2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole is c1ccc(-n2c(-c3cccc(-c4ccc5c(c4)Oc4cc6c(cc4O5)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)nc3ccccc32)cc1.
What is the InChIKey of 2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is SVAUXZBRFCHAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O2/c1-4-17-36(18-5-1)50(37-19-6-2-7-20-37)41-24-11-10-23-39(41)40-31-47-48(32-42(40)50)53-45-28-27-34(30-46(45)54-47)33-15-14-16-35(29-33)49-51-43-25-12-13-26-44(43)52(49)38-21-8-3-9-22-38/h1-32H.
What are the key properties of 2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole?
2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 692.82 g/mol, XLogP of 12.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 138574311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).