9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

C47H32N2 — CID 126501143

IUPAC9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESCc1cccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc(-c6ccc(-c7ccccc7)cc6)c5)c4c4ccccc4c32)c1
InChIInChI=1S/C47H32N2/c1-31-13-11-17-36(29-31)48-42-23-9-7-21-40(42)44-45-41-22-8-10-24-43(41)49(47(45)39-20-6-5-19-38(39)46(44)48)37-18-12-16-35(30-37)34-27-25-33(26-28-34)32-14-3-2-4-15-32/h2-30H,1H3
InChIKeyGBACIGIEJPBPJM-UHFFFAOYSA-N
MW624.79 g/mol
LogP12.68
Rot. Bonds4

About 9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (PubChem CID 126501143) has the molecular formula C47H32N2 and a molecular weight of 624.79 g/mol. Its IUPAC name is 9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

Molecular Properties

Compound Name9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
PubChem CID126501143
Molecular FormulaC47H32N2
Molecular Weight624.79 g/mol
Exact Mass624.26
IUPAC Name9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESCc1cccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc(-c6ccc(-c7ccccc7)cc6)c5)c4c4ccccc4c32)c1
InChIInChI=1S/C47H32N2/c1-31-13-11-17-36(29-31)48-42-23-9-7-21-40(42)44-45-41-22-8-10-24-43(41)49(47(45)39-20-6-5-19-38(39)46(44)48)37-18-12-16-35(30-37)34-27-25-33(26-28-34)32-14-3-2-4-15-32/h2-30H,1H3
InChIKeyGBACIGIEJPBPJM-UHFFFAOYSA-N
XLogP12.68
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.79
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene 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-methylphenyl)-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 126501118
9-methyl-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126501138
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
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
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
9-[3-[4-(4-methylphenyl)phenyl]phenyl]-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-nonaene
CID 170201902
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 160614579
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 158304172

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The IUPAC name of 9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (CID 126501143) is 9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.
What is the SMILES notation for 9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The canonical SMILES for 9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is Cc1cccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc(-c6ccc(-c7ccccc7)cc6)c5)c4c4ccccc4c32)c1.
What is the InChIKey of 9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The InChIKey is GBACIGIEJPBPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2/c1-31-13-11-17-36(29-31)48-42-23-9-7-21-40(42)44-45-41-22-8-10-24-43(41)49(47(45)39-20-6-5-19-38(39)46(44)48)37-18-12-16-35(30-37)34-27-25-33(26-28-34)32-14-3-2-4-15-32/h2-30H,1H3.
What are the key properties of 9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene has a molecular weight of 624.79 g/mol, XLogP of 12.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylphenyl)-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 126501143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).