11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol

C37H24N2O — CID 123842990

IUPAC11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol
SMILESOC1c2ccccc2-c2cc(-c3ccccc3)cc3c4cc5c6ccccc6n(-c6ccccc6)c5cc4n1c23
InChIInChI=1S/C37H24N2O/c40-37-28-17-8-7-15-26(28)31-19-24(23-11-3-1-4-12-23)20-32-30-21-29-27-16-9-10-18-33(27)38(25-13-5-2-6-14-25)34(29)22-35(30)39(37)36(31)32/h1-22,37,40H
InChIKeyBEJAKGXSCVKJGK-UHFFFAOYSA-N
MW512.61 g/mol
LogP9.08
Rot. Bonds2

About 11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol

11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol (PubChem CID 123842990) has the molecular formula C37H24N2O and a molecular weight of 512.61 g/mol. Its IUPAC name is 11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol.

Molecular Properties

Compound Name11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol
PubChem CID123842990
Molecular FormulaC37H24N2O
Molecular Weight512.61 g/mol
Exact Mass512.19
IUPAC Name11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol
SMILESOC1c2ccccc2-c2cc(-c3ccccc3)cc3c4cc5c6ccccc6n(-c6ccccc6)c5cc4n1c23
InChIInChI=1S/C37H24N2O/c40-37-28-17-8-7-15-26(28)31-19-24(23-11-3-1-4-12-23)20-32-30-21-29-27-16-9-10-18-33(27)38(25-13-5-2-6-14-25)34(29)22-35(30)39(37)36(31)32/h1-22,37,40H
InChIKeyBEJAKGXSCVKJGK-UHFFFAOYSA-N
XLogP9.08
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 59.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol 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

11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one
CID 123297046
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-phenylindolo[2,3-b]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 159483264
5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;5-(3,5-diphenylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 159455961
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 160788442
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240607
6-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]benzene-1,2,3,4,5-pentol
CID 170361030
7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
CID 134252986

Frequently Asked Questions

What is the IUPAC name of 11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol?
The IUPAC name of 11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol (CID 123842990) is 11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol.
What is the SMILES notation for 11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol?
The canonical SMILES for 11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol is OC1c2ccccc2-c2cc(-c3ccccc3)cc3c4cc5c6ccccc6n(-c6ccccc6)c5cc4n1c23.
What is the InChIKey of 11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol?
The InChIKey is BEJAKGXSCVKJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O/c40-37-28-17-8-7-15-26(28)31-19-24(23-11-3-1-4-12-23)20-32-30-21-29-27-16-9-10-18-33(27)38(25-13-5-2-6-14-25)34(29)22-35(30)39(37)36(31)32/h1-22,37,40H.
What are the key properties of 11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol?
11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol has a molecular weight of 512.61 g/mol, XLogP of 9.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol is sourced from PubChem (CID 123842990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).