N-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine

C56H39N — CID 145291722

IUPACN-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine
SMILESC(=C\c1ccc(-c2ccc3c(c2)C2(C4=C3c3ccccc3C4)c3ccccc3-c3ccccc32)cc1)\C(=C/C=C/Nc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C56H39N/c1-2-13-39(14-3-1)40(18-12-34-57-46-32-30-41-15-4-5-16-43(41)35-46)27-24-38-25-28-42(29-26-38)44-31-33-50-53(36-44)56(54-37-45-17-6-7-19-47(45)55(50)54)51-22-10-8-20-48(51)49-21-9-11-23-52(49)56/h1-36,57H,37H2/b27-24-,34-12+,40-18+
InChIKeyZWAUQJUURKNOQJ-QBVIZJTQSA-N
MW725.94 g/mol
LogP13.92
Rot. Bonds7

About N-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine

N-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine (PubChem CID 145291722) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine
PubChem CID145291722
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine
SMILESC(=C\c1ccc(-c2ccc3c(c2)C2(C4=C3c3ccccc3C4)c3ccccc3-c3ccccc32)cc1)\C(=C/C=C/Nc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C56H39N/c1-2-13-39(14-3-1)40(18-12-34-57-46-32-30-41-15-4-5-16-43(41)35-46)27-24-38-25-28-42(29-26-38)44-31-33-50-53(36-44)56(54-37-45-17-6-7-19-47(45)55(50)54)51-22-10-8-20-48(51)49-21-9-11-23-52(49)56/h1-36,57H,37H2/b27-24-,34-12+,40-18+
InChIKeyZWAUQJUURKNOQJ-QBVIZJTQSA-N
XLogP13.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.94
LogP ≤ 513.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-[(1E,3E,5Z)-4-phenyl-6-(2'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-6-yl)hexa-1,3,5-trienyl]aniline
CID 145144933
N-[(1E,3E,5Z)-6-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenanthren-9-ylhexa-1,3,5-trienyl]-4-phenanthren-9-ylaniline
CID 142614451
N-[(1E,3E,5Z)-6-(4-naphthalen-2-ylphenyl)-4-[4-[9-[(1Z,3Z)-penta-1,3-dienyl]phenanthren-4-yl]phenyl]hexa-1,3,5-trienyl]-4-phenylaniline
CID 153357579
2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine
CID 134529801
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217060
anthracene;benzene;1,1'-biphenyl;11,12-dihydroindeno[2,1-a]fluorene;6,12-dihydroindeno[1,2-b]fluorene;ethane;naphthalene;9,9'-spirobi[fluorene];toluene
CID 157234575
9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene
CID 72533469
2,9,9-trinaphthalen-2-ylfluorene
CID 144772576
10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene
CID 154436056

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine?
The IUPAC name of N-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine (CID 145291722) is N-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine.
What is the SMILES notation for N-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine?
The canonical SMILES for N-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine is C(=C\c1ccc(-c2ccc3c(c2)C2(C4=C3c3ccccc3C4)c3ccccc3-c3ccccc32)cc1)\C(=C/C=C/Nc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of N-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine?
The InChIKey is ZWAUQJUURKNOQJ-QBVIZJTQSA-N. The full InChI is InChI=1S/C56H39N/c1-2-13-39(14-3-1)40(18-12-34-57-46-32-30-41-15-4-5-16-43(41)35-46)27-24-38-25-28-42(29-26-38)44-31-33-50-53(36-44)56(54-37-45-17-6-7-19-47(45)55(50)54)51-22-10-8-20-48(51)49-21-9-11-23-52(49)56/h1-36,57H,37H2/b27-24-,34-12+,40-18+.
What are the key properties of N-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine?
N-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine has a molecular weight of 725.94 g/mol, XLogP of 13.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E,5Z)-4-phenyl-6-(4-spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2-ylphenyl)hexa-1,3,5-trienyl]naphthalen-2-amine is sourced from PubChem (CID 145291722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).