12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C50H30N4 — CID 139322531

IUPAC12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccc6ccccc6c5n(-c5nc6ccccc6nc5-c5cc6ccccc6c6ccccc56)c4cc32)cc1
InChIInChI=1S/C50H30N4/c1-2-16-33(17-3-1)53-45-25-13-10-22-38(45)40-29-41-39-27-26-31-14-4-7-19-35(31)49(39)54(47(41)30-46(40)53)50-48(51-43-23-11-12-24-44(43)52-50)42-28-32-15-5-6-18-34(32)36-20-8-9-21-37(36)42/h1-30H
InChIKeyGSWDLGWEGCZTQP-UHFFFAOYSA-N
MW686.82 g/mol
LogP12.95
Rot. Bonds3

About 12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 139322531) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

Compound Name12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
PubChem CID139322531
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccc6ccccc6c5n(-c5nc6ccccc6nc5-c5cc6ccccc6c6ccccc56)c4cc32)cc1
InChIInChI=1S/C50H30N4/c1-2-16-33(17-3-1)53-45-25-13-10-22-38(45)40-29-41-39-27-26-31-14-4-7-19-35(31)49(39)54(47(41)30-46(40)53)50-48(51-43-23-11-12-24-44(43)52-50)42-28-32-15-5-6-18-34(32)36-20-8-9-21-37(36)42/h1-30H
InChIKeyGSWDLGWEGCZTQP-UHFFFAOYSA-N
XLogP12.95
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-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

11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491
20-(11-phenylbenzo[a]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23,25,27-tetradecaene
CID 159486049
25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene
CID 159144068
12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155465610
11-(3-naphthalen-2-ylquinoxalin-2-yl)-7-(9-phenylcarbazol-4-yl)benzo[a]carbazole
CID 155114316
16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 139322662
16-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 154952278
12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134222275
9,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(4-phenylphenyl)quinoxalin-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 163789996
2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole
CID 157299308
7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole
CID 134168535
7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole
CID 155114239

Frequently Asked Questions

What is the IUPAC name of 12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The IUPAC name of 12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 139322531) is 12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.
What is the SMILES notation for 12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The canonical SMILES for 12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-n2c3ccccc3c3cc4c5ccc6ccccc6c5n(-c5nc6ccccc6nc5-c5cc6ccccc6c6ccccc56)c4cc32)cc1.
What is the InChIKey of 12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The InChIKey is GSWDLGWEGCZTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-2-16-33(17-3-1)53-45-25-13-10-22-38(45)40-29-41-39-27-26-31-14-4-7-19-35(31)49(39)54(47(41)30-46(40)53)50-48(51-43-23-11-12-24-44(43)52-50)42-28-32-15-5-6-18-34(32)36-20-8-9-21-37(36)42/h1-30H.
What are the key properties of 12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 686.82 g/mol, XLogP of 12.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 139322531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).