(1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine

C43H35N — CID 88554674

IUPAC(1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine
SMILESCC/C=C(C)\C(=C/N)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C43H35N/c1-3-10-29(2)41(28-44)33-22-17-31(18-23-33)32-19-24-34(25-20-32)42-37-13-6-8-15-39(37)43(40-16-9-7-14-38(40)42)36-26-21-30-11-4-5-12-35(30)27-36/h4-28H,3,44H2,1-2H3/b29-10-,41-28+
InChIKeyOUSSVQSNUMWIST-FZDMJJBYSA-N
MW565.76 g/mol
LogP11.80
Rot. Bonds6

About (1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine

(1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine (PubChem CID 88554674) has the molecular formula C43H35N and a molecular weight of 565.76 g/mol. Its IUPAC name is (1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine
PubChem CID88554674
Molecular FormulaC43H35N
Molecular Weight565.76 g/mol
Exact Mass565.28
IUPAC Name(1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine
SMILESCC/C=C(C)\C(=C/N)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C43H35N/c1-3-10-29(2)41(28-44)33-22-17-31(18-23-33)32-19-24-34(25-20-32)42-37-13-6-8-15-39(37)43(40-16-9-7-14-38(40)42)36-26-21-30-11-4-5-12-35(30)27-36/h4-28H,3,44H2,1-2H3/b29-10-,41-28+
InChIKeyOUSSVQSNUMWIST-FZDMJJBYSA-N
XLogP11.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.76
LogP ≤ 511.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[10-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-ylanthracene
CID 143535661
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene
CID 142403047
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-ethyl-10-naphthalen-2-ylanthracene
CID 143444762
9-methyl-10-naphthalen-2-yl-1-[(E)-pent-2-en-2-yl]anthracene
CID 168993997
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine (CID 88554674) is (1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine is CC/C=C(C)\C(=C/N)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.
What is the InChIKey of (1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine?
The InChIKey is OUSSVQSNUMWIST-FZDMJJBYSA-N. The full InChI is InChI=1S/C43H35N/c1-3-10-29(2)41(28-44)33-22-17-31(18-23-33)32-19-24-34(25-20-32)42-37-13-6-8-15-39(37)43(40-16-9-7-14-38(40)42)36-26-21-30-11-4-5-12-35(30)27-36/h4-28H,3,44H2,1-2H3/b29-10-,41-28+.
What are the key properties of (1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine?
(1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine has a molecular weight of 565.76 g/mol, XLogP of 11.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-3-methyl-2-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]hexa-1,3-dien-1-amine is sourced from PubChem (CID 88554674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).