12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole

C65H49IN4 — CID 88559484

IUPAC12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole
SMILESIC1C=CC(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)=NC1n1c2ccccc2c2c3c(ccc21)c1ccccc1n3-c1cccc(C2C=C(C3=CCCC=C3)C=C(C3=CC=CCC=C3)C2)n1
InChIInChI=1S/C65H49IN4/c66-56-34-35-58(52-41-49(45-23-10-4-11-24-45)38-50(42-52)46-25-12-5-13-26-46)68-65(56)69-60-31-17-15-28-55(60)63-61(69)36-33-54-53-27-14-16-30-59(53)70(64(54)63)62-32-18-29-57(67-62)51-39-47(43-19-6-1-2-7-20-43)37-48(40-51)44-21-8-3-9-22-44/h1,4-8,10-38,40-42,51,56,65H,2-3,9,39H2
InChIKeyANVVJYGCGYOIHR-UHFFFAOYSA-N
MW1013.04 g/mol
LogP17.04
Rot. Bonds8

About 12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole

12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole (PubChem CID 88559484) has the molecular formula C65H49IN4 and a molecular weight of 1013.04 g/mol. Its IUPAC name is 12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole
PubChem CID88559484
Molecular FormulaC65H49IN4
Molecular Weight1013.04 g/mol
Exact Mass1012.30
IUPAC Name12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole
SMILESIC1C=CC(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)=NC1n1c2ccccc2c2c3c(ccc21)c1ccccc1n3-c1cccc(C2C=C(C3=CCCC=C3)C=C(C3=CC=CCC=C3)C2)n1
InChIInChI=1S/C65H49IN4/c66-56-34-35-58(52-41-49(45-23-10-4-11-24-45)38-50(42-52)46-25-12-5-13-26-46)68-65(56)69-60-31-17-15-28-55(60)63-61(69)36-33-54-53-27-14-16-30-59(53)70(64(54)63)62-32-18-29-57(67-62)51-39-47(43-19-6-1-2-7-20-43)37-48(40-51)44-21-8-3-9-22-44/h1,4-8,10-38,40-42,51,56,65H,2-3,9,39H2
InChIKeyANVVJYGCGYOIHR-UHFFFAOYSA-N
XLogP17.04
TPSA35.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.04
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole 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-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole
CID 70912416
1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole
CID 71164637
5-[6-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-4,5-dihydropyrimidin-2-yl)-2,3-dihydropyridin-2-yl]-12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]indolo[3,2-c]carbazole
CID 70912348
9-[4-[3-[4-(2-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-4-yl)phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 67950891
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole
CID 174355929
2-[9-(2-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole
CID 153146709
5,12-bis(4-phenylphenyl)indolo[3,2-c]carbazole;12-phenyl-5-(4-phenylphenyl)indolo[3,2-c]carbazole;5-(4-phenylphenyl)-12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazole
CID 158271663
6-[2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-24-phenyl-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 153304570
12-[3-(6-cyclohexa-1,5-dien-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,2-dihydropyridin-6-yl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 137067047
5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole
CID 58570039
9-[3-carbazol-9-yl-5-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-2-pyridinyl]phenyl]carbazole
CID 170151461
12-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 130183985

Frequently Asked Questions

What is the IUPAC name of 12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole?
The IUPAC name of 12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole (CID 88559484) is 12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole is IC1C=CC(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)=NC1n1c2ccccc2c2c3c(ccc21)c1ccccc1n3-c1cccc(C2C=C(C3=CCCC=C3)C=C(C3=CC=CCC=C3)C2)n1.
What is the InChIKey of 12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole?
The InChIKey is ANVVJYGCGYOIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H49IN4/c66-56-34-35-58(52-41-49(45-23-10-4-11-24-45)38-50(42-52)46-25-12-5-13-26-46)68-65(56)69-60-31-17-15-28-55(60)63-61(69)36-33-54-53-27-14-16-30-59(53)70(64(54)63)62-32-18-29-57(67-62)51-39-47(43-19-6-1-2-7-20-43)37-48(40-51)44-21-8-3-9-22-44/h1,4-8,10-38,40-42,51,56,65H,2-3,9,39H2.
What are the key properties of 12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole?
12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole has a molecular weight of 1013.04 g/mol, XLogP of 17.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 88559484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).