(3Z,7Z)-2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-6-methylidenenona-1,3,7-trien-5-imine

C56H41N — CID 144687074

IUPAC(3Z,7Z)-2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-6-methylidenenona-1,3,7-trien-5-imine
SMILES[H]N=C(/C=C\C(=C)c1ccc2c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c2c1)C(=C)/C=C\C
InChIInChI=1S/C56H41N/c1-4-13-38(3)54(57)35-24-37(2)45-33-34-52-53(36-45)56(44-31-27-42(28-32-44)49-23-12-17-40-15-6-8-19-47(40)49)51-21-10-9-20-50(51)55(52)43-29-25-41(26-30-43)48-22-11-16-39-14-5-7-18-46(39)48/h4-36,57H,2-3H2,1H3/b13-4-,35-24-,57-54-
InChIKeyDRLKYSBHPHLPNI-XNXLLIHMSA-N
MW727.95 g/mol
LogP15.69
Rot. Bonds9

About (3Z,7Z)-2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-6-methylidenenona-1,3,7-trien-5-imine

(3Z,7Z)-2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-6-methylidenenona-1,3,7-trien-5-imine (PubChem CID 144687074) has the molecular formula C56H41N and a molecular weight of 727.95 g/mol. Its IUPAC name is (3Z,7Z)-2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-6-methylidenenona-1,3,7-trien-5-imine.

Molecular Properties

Compound Name(3Z,7Z)-2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-6-methylidenenona-1,3,7-trien-5-imine
PubChem CID144687074
Molecular FormulaC56H41N
Molecular Weight727.95 g/mol
Exact Mass727.32
IUPAC Name(3Z,7Z)-2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-6-methylidenenona-1,3,7-trien-5-imine
SMILES[H]N=C(/C=C\C(=C)c1ccc2c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c2c1)C(=C)/C=C\C
InChIInChI=1S/C56H41N/c1-4-13-38(3)54(57)35-24-37(2)45-33-34-52-53(36-45)56(44-31-27-42(28-32-44)49-23-12-17-40-15-6-8-19-47(40)49)51-21-10-9-20-50(51)55(52)43-29-25-41(26-30-43)48-22-11-16-39-14-5-7-18-46(39)48/h4-36,57H,2-3H2,1H3/b13-4-,35-24-,57-54-
InChIKeyDRLKYSBHPHLPNI-XNXLLIHMSA-N
XLogP15.69
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.95
LogP ≤ 515.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
10-(4-naphthalen-1-ylphenyl)-9-phenyl-2-(8-phenylnaphthalen-1-yl)anthracene
CID 123378764
1-[4-(3-methylbuta-1,3-dienyl)phenyl]naphthalene
CID 123732172
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 58426694
22'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962518
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583018

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-6-methylidenenona-1,3,7-trien-5-imine?
The IUPAC name of (3Z,7Z)-2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-6-methylidenenona-1,3,7-trien-5-imine (CID 144687074) is (3Z,7Z)-2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-6-methylidenenona-1,3,7-trien-5-imine.
What is the SMILES notation for (3Z,7Z)-2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-6-methylidenenona-1,3,7-trien-5-imine?
The canonical SMILES for (3Z,7Z)-2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-6-methylidenenona-1,3,7-trien-5-imine is [H]N=C(/C=C\C(=C)c1ccc2c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c2c1)C(=C)/C=C\C.
What is the InChIKey of (3Z,7Z)-2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-6-methylidenenona-1,3,7-trien-5-imine?
The InChIKey is DRLKYSBHPHLPNI-XNXLLIHMSA-N. The full InChI is InChI=1S/C56H41N/c1-4-13-38(3)54(57)35-24-37(2)45-33-34-52-53(36-45)56(44-31-27-42(28-32-44)49-23-12-17-40-15-6-8-19-47(40)49)51-21-10-9-20-50(51)55(52)43-29-25-41(26-30-43)48-22-11-16-39-14-5-7-18-46(39)48/h4-36,57H,2-3H2,1H3/b13-4-,35-24-,57-54-.
What are the key properties of (3Z,7Z)-2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-6-methylidenenona-1,3,7-trien-5-imine?
(3Z,7Z)-2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-6-methylidenenona-1,3,7-trien-5-imine has a molecular weight of 727.95 g/mol, XLogP of 15.69, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]-6-methylidenenona-1,3,7-trien-5-imine is sourced from PubChem (CID 144687074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).