11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene

C67H48N2 — CID 71142575

IUPAC11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
SMILESCC1(C)c2cc3c(cc2-c2cc4c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc(-c6ccccc6)cc5)c4cc21)c(-c1ccccc1)c(-c1ccccc1)n3-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C67H48N2/c1-67(2)59-43-61-57(63(49-25-13-5-14-26-49)65(51-29-17-7-18-30-51)68(61)53-37-33-47(34-38-53)45-21-9-3-10-22-45)41-55(59)56-42-58-62(44-60(56)67)69(54-39-35-48(36-40-54)46-23-11-4-12-24-46)66(52-31-19-8-20-32-52)64(58)50-27-15-6-16-28-50/h3-44H,1-2H3
InChIKeyNZFSMPUPBQJTSO-UHFFFAOYSA-N
MW881.14 g/mol
LogP17.88
Rot. Bonds8

About 11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene

11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene (PubChem CID 71142575) has the molecular formula C67H48N2 and a molecular weight of 881.14 g/mol. Its IUPAC name is 11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene.

Molecular Properties

Compound Name11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
PubChem CID71142575
Molecular FormulaC67H48N2
Molecular Weight881.14 g/mol
Exact Mass880.38
IUPAC Name11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
SMILESCC1(C)c2cc3c(cc2-c2cc4c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc(-c6ccccc6)cc5)c4cc21)c(-c1ccccc1)c(-c1ccccc1)n3-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C67H48N2/c1-67(2)59-43-61-57(63(49-25-13-5-14-26-49)65(51-29-17-7-18-30-51)68(61)53-37-33-47(34-38-53)45-21-9-3-10-22-45)41-55(59)56-42-58-62(44-60(56)67)69(54-39-35-48(36-40-54)46-23-11-4-12-24-46)66(52-31-19-8-20-32-52)64(58)50-27-15-6-16-28-50/h3-44H,1-2H3
InChIKeyNZFSMPUPBQJTSO-UHFFFAOYSA-N
XLogP17.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.14
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene 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

4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 58131714
N,N-bis[4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)phenyl]-4-(1,2,3-triphenyl-9H-indeno[1,2-f]indol-7-yl)aniline
CID 58131725
2,12-bis(9,9-dimethylfluoren-2-yl)-6,7,8,16,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131870
N-[4-(9,9-dimethyl-1-naphthalen-2-yl-2,3-diphenylindeno[1,2-f]indol-7-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58131686
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine
CID 58131695
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-[4-(4-phenylphenyl)phenyl]indole
CID 129085606
7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89408857
4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline
CID 123536272
1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole
CID 58161278
7,7-dimethyl-5-phenyl-2-(10-phenylanthracen-9-yl)indeno[2,1-b]carbazole
CID 144609405

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene?
The IUPAC name of 11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene (CID 71142575) is 11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene.
What is the SMILES notation for 11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene?
The canonical SMILES for 11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene is CC1(C)c2cc3c(cc2-c2cc4c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc(-c6ccccc6)cc5)c4cc21)c(-c1ccccc1)c(-c1ccccc1)n3-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene?
The InChIKey is NZFSMPUPBQJTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N2/c1-67(2)59-43-61-57(63(49-25-13-5-14-26-49)65(51-29-17-7-18-30-51)68(61)53-37-33-47(34-38-53)45-21-9-3-10-22-45)41-55(59)56-42-58-62(44-60(56)67)69(54-39-35-48(36-40-54)46-23-11-4-12-24-46)66(52-31-19-8-20-32-52)64(58)50-27-15-6-16-28-50/h3-44H,1-2H3.
What are the key properties of 11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene?
11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene has a molecular weight of 881.14 g/mol, XLogP of 17.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene is sourced from PubChem (CID 71142575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).