N'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide

C53H48N4 — CID 144724189

IUPACN'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide
SMILESCC1(C2=CCCC=C2)C=CC(C/C=C(\N=C(/N)c2ccccc2)c2cc(N3c4ccccc4C4C=CC=CC43)cc(-n3c4c(c5ccccc53)CCC=C4)c2)=CC1
InChIInChI=1S/C53H48N4/c1-53(40-18-6-3-7-19-40)32-30-37(31-33-53)28-29-47(55-52(54)38-16-4-2-5-17-38)39-34-41(56-48-24-12-8-20-43(48)44-21-9-13-25-49(44)56)36-42(35-39)57-50-26-14-10-22-45(50)46-23-11-15-27-51(46)57/h2,4-6,8-10,12-22,24-27,29-32,34-36,43,48H,3,7,11,23,28,33H2,1H3,(H2,54,55)/b47-29-
InChIKeyXVZZCKNZDMQPIK-ARADLYGJSA-N
MW741.00 g/mol
LogP12.63
Rot. Bonds8

About N'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide

N'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide (PubChem CID 144724189) has the molecular formula C53H48N4 and a molecular weight of 741.00 g/mol. Its IUPAC name is N'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide
PubChem CID144724189
Molecular FormulaC53H48N4
Molecular Weight741.00 g/mol
Exact Mass740.39
IUPAC NameN'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide
SMILESCC1(C2=CCCC=C2)C=CC(C/C=C(\N=C(/N)c2ccccc2)c2cc(N3c4ccccc4C4C=CC=CC43)cc(-n3c4c(c5ccccc53)CCC=C4)c2)=CC1
InChIInChI=1S/C53H48N4/c1-53(40-18-6-3-7-19-40)32-30-37(31-33-53)28-29-47(55-52(54)38-16-4-2-5-17-38)39-34-41(56-48-24-12-8-20-43(48)44-21-9-13-25-49(44)56)36-42(35-39)57-50-26-14-10-22-45(50)46-23-11-15-27-51(46)57/h2,4-6,8-10,12-22,24-27,29-32,34-36,43,48H,3,7,11,23,28,33H2,1H3,(H2,54,55)/b47-29-
InChIKeyXVZZCKNZDMQPIK-ARADLYGJSA-N
XLogP12.63
TPSA46.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.00
LogP ≤ 512.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide with MolForge

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Related Compounds

4-(4a,9a-dihydrocarbazol-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]aniline
CID 146413450
9-[4-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 137401527
3-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-[3-(3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 167280225
(10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne
CID 167114097
1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one
CID 89129785
9-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 70916078
buta-1,3-diene;N'-[(Z)-3-cyclohexa-1,5-dien-1-yl-1-[3-(22-oxa-10-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl)phenyl]prop-1-enyl]benzenecarboximidamide;ethane
CID 144914807
2-[(E)-2-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]prop-1-enyl]-4-[4-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]aniline
CID 142622148
9-[4-[10-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]anthracen-9-yl]cyclohexa-2,4-dien-1-yl]-3,4-dihydrocarbazole
CID 142867894
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
N'-[(Z)-1-[3-benzo[c]carbazol-7-yl-5-(3,4-dihydrobenzo[c]carbazol-7-yl)phenyl]-3-(2-phenylphenyl)prop-1-enyl]benzenecarboximidamide
CID 166656546
9-[9-(4a,9a-dihydrocarbazol-9-yl)-3-cyclohexa-1,5-dien-1-yl-2-phenylphenanthro[9,10-b]furan-6-yl]carbazole
CID 87278969

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide?
The IUPAC name of N'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide (CID 144724189) is N'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide?
The canonical SMILES for N'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide is CC1(C2=CCCC=C2)C=CC(C/C=C(\N=C(/N)c2ccccc2)c2cc(N3c4ccccc4C4C=CC=CC43)cc(-n3c4c(c5ccccc53)CCC=C4)c2)=CC1.
What is the InChIKey of N'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide?
The InChIKey is XVZZCKNZDMQPIK-ARADLYGJSA-N. The full InChI is InChI=1S/C53H48N4/c1-53(40-18-6-3-7-19-40)32-30-37(31-33-53)28-29-47(55-52(54)38-16-4-2-5-17-38)39-34-41(56-48-24-12-8-20-43(48)44-21-9-13-25-49(44)56)36-42(35-39)57-50-26-14-10-22-45(50)46-23-11-15-27-51(46)57/h2,4-6,8-10,12-22,24-27,29-32,34-36,43,48H,3,7,11,23,28,33H2,1H3,(H2,54,55)/b47-29-.
What are the key properties of N'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide?
N'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide has a molecular weight of 741.00 g/mol, XLogP of 12.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4-dihydrocarbazol-9-yl)phenyl]-3-(4-cyclohexa-1,5-dien-1-yl-4-methylcyclohexa-1,5-dien-1-yl)prop-1-enyl]benzenecarboximidamide is sourced from PubChem (CID 144724189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).