7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene

C44H26N2 — CID 59319055

IUPAC7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene
SMILESc1ccc(-c2ccc3c(c2)c(-c2cccc4cccnc24)cc2c4ccc(-c5ccccc5)c5c4c(cc32)-c2ncccc2-5)cc1
InChIInChI=1S/C44H26N2/c1-3-10-27(11-4-1)30-18-19-32-36(24-30)39(34-16-7-14-29-15-8-22-45-43(29)34)25-38-33-21-20-31(28-12-5-2-6-13-28)41-35-17-9-23-46-44(35)40(42(33)41)26-37(32)38/h1-26H
InChIKeyIWMJLNCUBXZQPO-UHFFFAOYSA-N
MW582.71 g/mol
LogP11.74
Rot. Bonds3

About 7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene

7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene (PubChem CID 59319055) has the molecular formula C44H26N2 and a molecular weight of 582.71 g/mol. Its IUPAC name is 7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene.

Molecular Properties

Compound Name7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene
PubChem CID59319055
Molecular FormulaC44H26N2
Molecular Weight582.71 g/mol
Exact Mass582.21
IUPAC Name7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene
SMILESc1ccc(-c2ccc3c(c2)c(-c2cccc4cccnc24)cc2c4ccc(-c5ccccc5)c5c4c(cc32)-c2ncccc2-5)cc1
InChIInChI=1S/C44H26N2/c1-3-10-27(11-4-1)30-18-19-32-36(24-30)39(34-16-7-14-29-15-8-22-45-43(29)34)25-38-33-21-20-31(28-12-5-2-6-13-28)41-35-17-9-23-46-44(35)40(42(33)41)26-37(32)38/h1-26H
InChIKeyIWMJLNCUBXZQPO-UHFFFAOYSA-N
XLogP11.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.71
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene with MolForge

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Related Compounds

8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394585
8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 163900129
8-[2-[6-(3-quinolin-8-ylphenyl)triphenylen-2-yl]-4-pyridinyl]quinoline
CID 167027860
9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline
CID 89342073
8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline
CID 146665542
8-[4-[6-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130264267
8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 146187315
4-[4-(7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)phenyl]-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319132
13-[3-(4-quinolin-8-ylphenyl)phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 134453283
2-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)quinoline
CID 59330321
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394581

Frequently Asked Questions

What is the IUPAC name of 7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene?
The IUPAC name of 7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene (CID 59319055) is 7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene.
What is the SMILES notation for 7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene?
The canonical SMILES for 7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene is c1ccc(-c2ccc3c(c2)c(-c2cccc4cccnc24)cc2c4ccc(-c5ccccc5)c5c4c(cc32)-c2ncccc2-5)cc1.
What is the InChIKey of 7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene?
The InChIKey is IWMJLNCUBXZQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2/c1-3-10-27(11-4-1)30-18-19-32-36(24-30)39(34-16-7-14-29-15-8-22-45-43(29)34)25-38-33-21-20-31(28-12-5-2-6-13-28)41-35-17-9-23-46-44(35)40(42(33)41)26-37(32)38/h1-26H.
What are the key properties of 7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene?
7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene has a molecular weight of 582.71 g/mol, XLogP of 11.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,21-diphenyl-4-quinolin-8-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene is sourced from PubChem (CID 59319055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).