N-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline

C71H54N4O — CID 143893590

IUPACN-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
SMILESC=C/C=C\N=C.COc1cccc2cccnc12.c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C56H38N2.C10H9NO.C5H7N/c1-4-16-40(17-5-1)55-48-23-10-12-25-50(48)56(51-26-13-11-24-49(51)55)41-30-35-46(36-31-41)57(43-18-6-2-7-19-43)45-33-28-39(29-34-45)42-32-37-54-52(38-42)47-22-14-15-27-53(47)58(54)44-20-8-3-9-21-44;1-12-9-6-2-4-8-5-3-7-11-10(8)9;1-3-4-5-6-2/h1-38H;2-7H,1H3;3-5H,1-2H2/b;;5-4-
InChIKeyHHLDCLRCSMVVBI-GDUSTKMHSA-N
MW979.24 g/mol
LogP19.19
Rot. Bonds10

About N-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline

N-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline (PubChem CID 143893590) has the molecular formula C71H54N4O and a molecular weight of 979.24 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
PubChem CID143893590
Molecular FormulaC71H54N4O
Molecular Weight979.24 g/mol
Exact Mass978.43
IUPAC NameN-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
SMILESC=C/C=C\N=C.COc1cccc2cccnc12.c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C56H38N2.C10H9NO.C5H7N/c1-4-16-40(17-5-1)55-48-23-10-12-25-50(48)56(51-26-13-11-24-49(51)55)41-30-35-46(36-31-41)57(43-18-6-2-7-19-43)45-33-28-39(29-34-45)42-32-37-54-52(38-42)47-22-14-15-27-53(47)58(54)44-20-8-3-9-21-44;1-12-9-6-2-4-8-5-3-7-11-10(8)9;1-3-4-5-6-2/h1-38H;2-7H,1H3;3-5H,1-2H2/b;;5-4-
InChIKeyHHLDCLRCSMVVBI-GDUSTKMHSA-N
XLogP19.19
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.24
LogP ≤ 519.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline with MolForge

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Related Compounds

YoYo-1
CID 6438136
3-(9-Methoxy-5,11-dimethylpyrido(4,3-b)carbazol-6-yl)propan-1-amine
CID 425818
6-{5-[(2S)-2-amino-3-(1-methyl-1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23646996
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-phenylisoquinoline
CID 23647586
9-Methoxy-N(2)-methylellipticinium
CID 125823
8-[2-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-en-8-yl)-ethoxy]-quinoline
CID 20595541
9-Methoxy-5,6,11-trimethylpyrido[4,3-b]carbazole
CID 97260
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-(2-quinolin-6-yl-ethyl)-amine
CID 10713569
6-Methoxy-4-methyl-1-o-tolyl-1H-pyrrolo[3,2-c]quinoline
CID 44297512
1-Butyl-7-methoxy-3-(naphthalen-1-ylmethyl)indole
CID 71621165
1-Butyl-7-methoxy-3-naphthalen-2-ylindole
CID 71656839
1-Butyl-7-methoxy-3-naphthalen-1-ylindole
CID 71680885

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline (CID 143893590) is N-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline is C=C/C=C\N=C.COc1cccc2cccnc12.c1ccc(-c2c3ccccc3c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3ccccc23)cc1.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline?
The InChIKey is HHLDCLRCSMVVBI-GDUSTKMHSA-N. The full InChI is InChI=1S/C56H38N2.C10H9NO.C5H7N/c1-4-16-40(17-5-1)55-48-23-10-12-25-50(48)56(51-26-13-11-24-49(51)55)41-30-35-46(36-31-41)57(43-18-6-2-7-19-43)45-33-28-39(29-34-45)42-32-37-54-52(38-42)47-22-14-15-27-53(47)58(54)44-20-8-3-9-21-44;1-12-9-6-2-4-8-5-3-7-11-10(8)9;1-3-4-5-6-2/h1-38H;2-7H,1H3;3-5H,1-2H2/b;;5-4-.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline?
N-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline has a molecular weight of 979.24 g/mol, XLogP of 19.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]methanimine;8-methoxyquinoline;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 143893590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).