(1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine

C54H49N3 — CID 144573328

IUPAC(1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine
SMILESC[C@H](/C=C(\C=C(/N)C1=CCCC=C1)C1=CCCC=C1)C1=CC=CC(n2c3c(c4ccccc42)C=C(c2ccc4c5ccccc5n(-c5ccccc5)c4c2)CC3)C1
InChIInChI=1S/C54H49N3/c1-37(32-43(38-16-5-2-6-17-38)35-50(55)39-18-7-3-8-19-39)40-20-15-23-45(33-40)57-52-27-14-12-25-47(52)49-34-41(29-31-53(49)57)42-28-30-48-46-24-11-13-26-51(46)56(54(48)36-42)44-21-9-4-10-22-44/h4-5,7,9-28,30,32,34-37,45H,2-3,6,8,29,31,33,55H2,1H3/b43-32+,50-35-/t37-,45?/m1/s1
InChIKeyXRAMMBQACBJELE-PZXQXTDVSA-N
MW740.01 g/mol
LogP13.61
Rot. Bonds8

About (1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine

(1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine (PubChem CID 144573328) has the molecular formula C54H49N3 and a molecular weight of 740.01 g/mol. Its IUPAC name is (1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine
PubChem CID144573328
Molecular FormulaC54H49N3
Molecular Weight740.01 g/mol
Exact Mass739.39
IUPAC Name(1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine
SMILESC[C@H](/C=C(\C=C(/N)C1=CCCC=C1)C1=CCCC=C1)C1=CC=CC(n2c3c(c4ccccc42)C=C(c2ccc4c5ccccc5n(-c5ccccc5)c4c2)CC3)C1
InChIInChI=1S/C54H49N3/c1-37(32-43(38-16-5-2-6-17-38)35-50(55)39-18-7-3-8-19-39)40-20-15-23-45(33-40)57-52-27-14-12-25-47(52)49-34-41(29-31-53(49)57)42-28-30-48-46-24-11-13-26-51(46)56(54(48)36-42)44-21-9-4-10-22-44/h4-5,7,9-28,30,32,34-37,45H,2-3,6,8,29,31,33,55H2,1H3/b43-32+,50-35-/t37-,45?/m1/s1
InChIKeyXRAMMBQACBJELE-PZXQXTDVSA-N
XLogP13.61
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.01
LogP ≤ 513.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine 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

9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 145212544
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-(2-cyclohex-2-en-1-yl-6-phenyl-4-pyridinyl)-2-[9-(4-phenylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole
CID 166761999
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
3-[3-[3-(9-cyclohexa-2,4-dien-1-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-N'-[(Z)-cyclohexa-1,5-dien-1-yl-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclohexa-1,3-diene-1-carboximidamide
CID 70812909
4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline
CID 163457269
3-[9-[4-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]pyrimidin-2-yl]-1,2-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 134438397
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole
CID 145264899
3-[1-(5-methylcyclohepta-1,3,6-trien-1-yl)ethyl]-9-phenyl-1,2-dihydrocarbazole
CID 145381854
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine?
The IUPAC name of (1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine (CID 144573328) is (1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine is C[C@H](/C=C(\C=C(/N)C1=CCCC=C1)C1=CCCC=C1)C1=CC=CC(n2c3c(c4ccccc42)C=C(c2ccc4c5ccccc5n(-c5ccccc5)c4c2)CC3)C1.
What is the InChIKey of (1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine?
The InChIKey is XRAMMBQACBJELE-PZXQXTDVSA-N. The full InChI is InChI=1S/C54H49N3/c1-37(32-43(38-16-5-2-6-17-38)35-50(55)39-18-7-3-8-19-39)40-20-15-23-45(33-40)57-52-27-14-12-25-47(52)49-34-41(29-31-53(49)57)42-28-30-48-46-24-11-13-26-51(46)56(54(48)36-42)44-21-9-4-10-22-44/h4-5,7,9-28,30,32,34-37,45H,2-3,6,8,29,31,33,55H2,1H3/b43-32+,50-35-/t37-,45?/m1/s1.
What are the key properties of (1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine?
(1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine has a molecular weight of 740.01 g/mol, XLogP of 13.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5R)-1,3-di(cyclohexa-1,5-dien-1-yl)-5-[5-[3-(9-phenylcarbazol-2-yl)-1,2-dihydrocarbazol-9-yl]cyclohexa-1,3-dien-1-yl]hexa-1,3-dien-1-amine is sourced from PubChem (CID 144573328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).