9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol

C48H32N2O10 — CID 170105407

IUPAC9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol
SMILESOc1c(O)c(O)c2c(c1O)c1c3c4c(O)c(O)c(O)c(O)c4n(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3c(O)c(O)c1n2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C48H32N2O10/c51-39-33-31-32-34-38(44(56)48(60)46(58)40(34)52)50(30-16-8-14-28(22-30)26-19-17-25(18-20-26)23-9-3-1-4-10-23)36(32)42(54)41(53)35(31)49(37(33)43(55)47(59)45(39)57)29-15-7-13-27(21-29)24-11-5-2-6-12-24/h1-22,51-60H
InChIKeyOAJMMCUFUNKJAA-UHFFFAOYSA-N
MW796.79 g/mol
LogP9.94
Rot. Bonds5

About 9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol

9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol (PubChem CID 170105407) has the molecular formula C48H32N2O10 and a molecular weight of 796.79 g/mol. Its IUPAC name is 9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol.

Molecular Properties

Compound Name9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol
PubChem CID170105407
Molecular FormulaC48H32N2O10
Molecular Weight796.79 g/mol
Exact Mass796.21
IUPAC Name9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol
SMILESOc1c(O)c(O)c2c(c1O)c1c3c4c(O)c(O)c(O)c(O)c4n(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3c(O)c(O)c1n2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C48H32N2O10/c51-39-33-31-32-34-38(44(56)48(60)46(58)40(34)52)50(30-16-8-14-28(22-30)26-19-17-25(18-20-26)23-9-3-1-4-10-23)36(32)42(54)41(53)35(31)49(37(33)43(55)47(59)45(39)57)29-15-7-13-27(21-29)24-11-5-2-6-12-24/h1-22,51-60H
InChIKeyOAJMMCUFUNKJAA-UHFFFAOYSA-N
XLogP9.94
TPSA212.16 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500796.79
LogP ≤ 59.94
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[3-(4-phenylphenyl)phenyl]-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol
CID 170105463
9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol
CID 170225973
7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol
CID 170414513
9,18-diphenyl-27-[3-(4-phenylphenyl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 138730085
5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 134369790
12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol
CID 142356470
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
9-(3-carbazol-9-ylphenyl)-14-[3-(4-phenylphenyl)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-nonaene
CID 122598820
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol?
The IUPAC name of 9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol (CID 170105407) is 9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol.
What is the SMILES notation for 9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol?
The canonical SMILES for 9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol is Oc1c(O)c(O)c2c(c1O)c1c3c4c(O)c(O)c(O)c(O)c4n(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3c(O)c(O)c1n2-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol?
The InChIKey is OAJMMCUFUNKJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O10/c51-39-33-31-32-34-38(44(56)48(60)46(58)40(34)52)50(30-16-8-14-28(22-30)26-19-17-25(18-20-26)23-9-3-1-4-10-23)36(32)42(54)41(53)35(31)49(37(33)43(55)47(59)45(39)57)29-15-7-13-27(21-29)24-11-5-2-6-12-24/h1-22,51-60H.
What are the key properties of 9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol?
9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol has a molecular weight of 796.79 g/mol, XLogP of 9.94, 5 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol is sourced from PubChem (CID 170105407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).