11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

C65H42N4 — CID 118003236

IUPAC11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
SMILESCC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5cccc(-c6cccc7ccc8cccnc8c67)c5)c4cc21)c1ccccc1n3-c1cccc(-c2cccc3ccc4cccnc4c23)c1
InChIInChI=1S/C65H42N4/c1-65(2)55-37-59-53(49-21-3-5-25-57(49)68(59)45-19-7-15-43(33-45)47-23-9-13-39-27-29-41-17-11-31-66-63(41)61(39)47)35-51(55)52-36-54-50-22-4-6-26-58(50)69(60(54)38-56(52)65)46-20-8-16-44(34-46)48-24-10-14-40-28-30-42-18-12-32-67-64(42)62(40)48/h3-38H,1-2H3
InChIKeyPJEHPBRXFLRVRU-UHFFFAOYSA-N
MW879.08 g/mol
LogP16.92
Rot. Bonds4

About 11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (PubChem CID 118003236) has the molecular formula C65H42N4 and a molecular weight of 879.08 g/mol. Its IUPAC name is 11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.

Molecular Properties

Compound Name11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
PubChem CID118003236
Molecular FormulaC65H42N4
Molecular Weight879.08 g/mol
Exact Mass878.34
IUPAC Name11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
SMILESCC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5cccc(-c6cccc7ccc8cccnc8c67)c5)c4cc21)c1ccccc1n3-c1cccc(-c2cccc3ccc4cccnc4c23)c1
InChIInChI=1S/C65H42N4/c1-65(2)55-37-59-53(49-21-3-5-25-57(49)68(59)45-19-7-15-43(33-45)47-23-9-13-39-27-29-41-17-11-31-66-63(41)61(39)47)35-51(55)52-36-54-50-22-4-6-26-58(50)69(60(54)38-56(52)65)46-20-8-16-44(34-46)48-24-10-14-40-28-30-42-18-12-32-67-64(42)62(40)48/h3-38H,1-2H3
InChIKeyPJEHPBRXFLRVRU-UHFFFAOYSA-N
XLogP16.92
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.08
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene 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

5-(6-benzo[h]quinolin-10-yl-9-phenylcarbazol-3-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 118003381
10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline
CID 118003234
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
7,7-dimethyl-5-[3-[6-(2-phenylphenyl)pyren-1-yl]phenyl]indeno[2,1-b]carbazole
CID 176780512
5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole
CID 118488507
14,14-dimethyl-9-[3-(1,10-phenanthrolin-2-yl)phenyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 90324728
N-[2-[9-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-5H-benzo[i][1,9]phenanthrolin-6-yl]phenyl]methanimine
CID 144508239
5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 71234809
5-[3-(9,9-dimethyl-5-phenylfluoren-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 138714663
7,7-dimethyl-5-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]indeno[2,1-b]carbazole
CID 163991530
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
5-[3-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130334469

Frequently Asked Questions

What is the IUPAC name of 11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The IUPAC name of 11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (CID 118003236) is 11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.
What is the SMILES notation for 11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The canonical SMILES for 11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is CC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5cccc(-c6cccc7ccc8cccnc8c67)c5)c4cc21)c1ccccc1n3-c1cccc(-c2cccc3ccc4cccnc4c23)c1.
What is the InChIKey of 11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The InChIKey is PJEHPBRXFLRVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N4/c1-65(2)55-37-59-53(49-21-3-5-25-57(49)68(59)45-19-7-15-43(33-45)47-23-9-13-39-27-29-41-17-11-31-66-63(41)61(39)47)35-51(55)52-36-54-50-22-4-6-26-58(50)69(60(54)38-56(52)65)46-20-8-16-44(34-46)48-24-10-14-40-28-30-42-18-12-32-67-64(42)62(40)48/h3-38H,1-2H3.
What are the key properties of 11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene has a molecular weight of 879.08 g/mol, XLogP of 16.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 118003236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).