23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene

C42H28N2 — CID 134428340

IUPAC23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
SMILESc1ccc(-n2c3ccccc3n(-c3ccccc3)c3cc4c5ccccc5c5ccccc5c5ccccc5c4cc32)cc1
InChIInChI=1S/C42H28N2/c1-3-15-29(16-4-1)43-39-25-13-14-26-40(39)44(30-17-5-2-6-18-30)42-28-38-36-24-12-10-22-34(36)32-20-8-7-19-31(32)33-21-9-11-23-35(33)37(38)27-41(42)43/h1-28H/b33-31-,34-32-,37-35-,38-36-
InChIKeyRFPWFIKHQUXUGI-ZZLXZMBSSA-N
MW560.70 g/mol
LogP11.31
Rot. Bonds2

About 23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene

23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene (PubChem CID 134428340) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene.

Molecular Properties

Compound Name23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
PubChem CID134428340
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
SMILESc1ccc(-n2c3ccccc3n(-c3ccccc3)c3cc4c5ccccc5c5ccccc5c5ccccc5c4cc32)cc1
InChIInChI=1S/C42H28N2/c1-3-15-29(16-4-1)43-39-25-13-14-26-40(39)44(30-17-5-2-6-18-30)42-28-38-36-24-12-10-22-34(36)32-20-8-7-19-31(32)33-21-9-11-23-35(33)37(38)27-41(42)43/h1-28H/b33-31-,34-32-,37-35-,38-36-
InChIKeyRFPWFIKHQUXUGI-ZZLXZMBSSA-N
XLogP11.31
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene 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

4,24-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31,38-tetraphenyl-11,18,31,38-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;4-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31,38-tetraphenyl-11,18,31,38-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22,24,26,28,30(39),32,34,36-octadecaene;4,24-di(carbazol-9-yl)-11,18,31,38-tetraphenyl-11,18,31,38-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
CID 159371639
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 89417795
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
11,16,26-triphenyl-11,16,26-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1(17),2(14),3,5,7,9,12,18,20,22,24,27-dodecaene-15-thione
CID 168933359
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
19,24-di(dibenzofuran-4-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
CID 134428489
23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 140956310
11,15,20-triphenyl-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaene-16-thione
CID 168933489

Frequently Asked Questions

What is the IUPAC name of 23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene?
The IUPAC name of 23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene (CID 134428340) is 23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene.
What is the SMILES notation for 23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene?
The canonical SMILES for 23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene is c1ccc(-n2c3ccccc3n(-c3ccccc3)c3cc4c5ccccc5c5ccccc5c5ccccc5c4cc32)cc1.
What is the InChIKey of 23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene?
The InChIKey is RFPWFIKHQUXUGI-ZZLXZMBSSA-N. The full InChI is InChI=1S/C42H28N2/c1-3-15-29(16-4-1)43-39-25-13-14-26-40(39)44(30-17-5-2-6-18-30)42-28-38-36-24-12-10-22-34(36)32-20-8-7-19-31(32)33-21-9-11-23-35(33)37(38)27-41(42)43/h1-28H/b33-31-,34-32-,37-35-,38-36-.
What are the key properties of 23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene?
23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene has a molecular weight of 560.70 g/mol, XLogP of 11.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene is sourced from PubChem (CID 134428340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).