12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole

C49H34N2 — CID 144788021

IUPAC12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESC=Cc1c(/C=C\C)c2cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)ccc2c2ccccc12
InChIInChI=1S/C49H34N2/c1-3-14-37-36(4-2)38-17-8-9-18-39(38)40-28-25-33(31-45(37)40)32-23-26-35(27-24-32)51-47-22-13-11-20-42(47)44-30-29-43-41-19-10-12-21-46(41)50(48(43)49(44)51)34-15-6-5-7-16-34/h3-31H,2H2,1H3/b14-3-
InChIKeyRLZHCDLQKPRNAK-BNNQUZSASA-N
MW650.83 g/mol
LogP13.53
Rot. Bonds5

About 12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole

12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 144788021) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole
PubChem CID144788021
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESC=Cc1c(/C=C\C)c2cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)ccc2c2ccccc12
InChIInChI=1S/C49H34N2/c1-3-14-37-36(4-2)38-17-8-9-18-39(38)40-28-25-33(31-45(37)40)32-23-26-35(27-24-32)51-47-22-13-11-20-42(47)44-30-29-43-41-19-10-12-21-46(41)50(48(43)49(44)51)34-15-6-5-7-16-34/h3-31H,2H2,1H3/b14-3-
InChIKeyRLZHCDLQKPRNAK-BNNQUZSASA-N
XLogP13.53
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]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

2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]-2,9-diphenylpyrimido[4,5-b]indole
CID 118229686
3-[9-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]carbazol-3-yl]-9-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]carbazole
CID 88559482
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
CID 118318986
9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
3,9-bis(4-ethenylphenyl)carbazole
CID 154999846
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177063540

Frequently Asked Questions

What is the IUPAC name of 12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole (CID 144788021) is 12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole is C=Cc1c(/C=C\C)c2cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)ccc2c2ccccc12.
What is the InChIKey of 12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is RLZHCDLQKPRNAK-BNNQUZSASA-N. The full InChI is InChI=1S/C49H34N2/c1-3-14-37-36(4-2)38-17-8-9-18-39(38)40-28-25-33(31-45(37)40)32-23-26-35(27-24-32)51-47-22-13-11-20-42(47)44-30-29-43-41-19-10-12-21-46(41)50(48(43)49(44)51)34-15-6-5-7-16-34/h3-31H,2H2,1H3/b14-3-.
What are the key properties of 12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole?
12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 650.83 g/mol, XLogP of 13.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 144788021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).