11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene

C62H38N4 — CID 154952540

IUPAC11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene
SMILESc1ccc(-c2nc3cccc(-c4ccc(-n5c6ccccc6c6cc7c8c9ccccc9c9ccccc9c8n(-c8ccccc8)c7cc65)c5ccccc45)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C62H38N4/c1-4-19-39(20-5-1)59-60(40-21-6-2-7-22-40)64-61-49(32-18-33-53(61)63-59)45-35-36-55(46-28-13-10-25-42(45)46)66-54-34-17-16-29-47(54)51-37-52-57(38-56(51)66)65(41-23-8-3-9-24-41)62-50-31-15-12-27-44(50)43-26-11-14-30-48(43)58(52)62/h1-38H
InChIKeyVOLNAZTYRKMXOF-UHFFFAOYSA-N
MW839.01 g/mol
LogP16.28
Rot. Bonds5

About 11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene

11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene (PubChem CID 154952540) has the molecular formula C62H38N4 and a molecular weight of 839.01 g/mol. Its IUPAC name is 11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene.

Molecular Properties

Compound Name11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene
PubChem CID154952540
Molecular FormulaC62H38N4
Molecular Weight839.01 g/mol
Exact Mass838.31
IUPAC Name11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene
SMILESc1ccc(-c2nc3cccc(-c4ccc(-n5c6ccccc6c6cc7c8c9ccccc9c9ccccc9c8n(-c8ccccc8)c7cc65)c5ccccc45)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C62H38N4/c1-4-19-39(20-5-1)59-60(40-21-6-2-7-22-40)64-61-49(32-18-33-53(61)63-59)45-35-36-55(46-28-13-10-25-42(45)46)66-54-34-17-16-29-47(54)51-37-52-57(38-56(51)66)65(41-23-8-3-9-24-41)62-50-31-15-12-27-44(50)43-26-11-14-30-48(43)58(52)62/h1-38H
InChIKeyVOLNAZTYRKMXOF-UHFFFAOYSA-N
XLogP16.28
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.01
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene with MolForge

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Related Compounds

12-(2,3-diphenylquinoxalin-5-yl)-16-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 154952711
5-[2,3-bis(4-phenylphenyl)quinoxalin-5-yl]-7-phenylindolo[2,3-b]carbazole
CID 154952283
16-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 154952773
7-(2,3-diphenylquinoxalin-5-yl)-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole
CID 154952593
11,12-diphenylindolo[2,3-i]phenanthridine
CID 129122135
N-[4-(8-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259899
15-phenyl-11-(7-phenylquinoxalin-6-yl)-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene
CID 154952498
11-(2,4-diphenylquinazolin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene
CID 154952405
11-[3-(3-carbazol-9-ylphenyl)phenyl]-12-phenylindolo[2,3-i]phenanthridine
CID 129123066
11-(3-phenanthren-9-ylphenyl)-12-phenylindolo[2,3-i]phenanthridine
CID 129123067
11-(2,3-diphenylquinoxalin-6-yl)-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene;12-phenyl-16-(7-phenylquinoxalin-6-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;15-phenyl-11-quinoxalin-6-yl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene
CID 158830650
12-[4-(3-carbazol-9-ylphenyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122894

Frequently Asked Questions

What is the IUPAC name of 11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene?
The IUPAC name of 11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene (CID 154952540) is 11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene.
What is the SMILES notation for 11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene?
The canonical SMILES for 11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene is c1ccc(-c2nc3cccc(-c4ccc(-n5c6ccccc6c6cc7c8c9ccccc9c9ccccc9c8n(-c8ccccc8)c7cc65)c5ccccc45)c3nc2-c2ccccc2)cc1.
What is the InChIKey of 11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene?
The InChIKey is VOLNAZTYRKMXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4/c1-4-19-39(20-5-1)59-60(40-21-6-2-7-22-40)64-61-49(32-18-33-53(61)63-59)45-35-36-55(46-28-13-10-25-42(45)46)66-54-34-17-16-29-47(54)51-37-52-57(38-56(51)66)65(41-23-8-3-9-24-41)62-50-31-15-12-27-44(50)43-26-11-14-30-48(43)58(52)62/h1-38H.
What are the key properties of 11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene?
11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene has a molecular weight of 839.01 g/mol, XLogP of 16.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(2,3-diphenylquinoxalin-5-yl)naphthalen-1-yl]-15-phenyl-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene is sourced from PubChem (CID 154952540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).