8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene

C49H38 — CID 143743108

IUPAC8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene
SMILESC=C/C=C(\C=C)c1c(C(/C=C\C)=C/CC)c(-c2cccc3ccccc23)c2c(c1-c1ccc3ccccc3c1)-c1cccc3cccc-2c13
InChIInChI=1S/C49H38/c1-5-16-32(8-4)44-45(35(17-6-2)18-7-3)47(40-26-13-22-34-20-11-12-25-39(34)40)49-42-28-15-24-36-23-14-27-41(43(36)42)48(49)46(44)38-30-29-33-19-9-10-21-37(33)31-38/h5-6,8-31H,1,4,7H2,2-3H3/b17-6-,32-16+,35-18+
InChIKeyGGGJCFZYKVLLNT-BYNGSLPZSA-N
MW626.84 g/mol
LogP14.25
Rot. Bonds8

About 8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene

8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene (PubChem CID 143743108) has the molecular formula C49H38 and a molecular weight of 626.84 g/mol. Its IUPAC name is 8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene.

Molecular Properties

Compound Name8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene
PubChem CID143743108
Molecular FormulaC49H38
Molecular Weight626.84 g/mol
Exact Mass626.30
IUPAC Name8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene
SMILESC=C/C=C(\C=C)c1c(C(/C=C\C)=C/CC)c(-c2cccc3ccccc23)c2c(c1-c1ccc3ccccc3c1)-c1cccc3cccc-2c13
InChIInChI=1S/C49H38/c1-5-16-32(8-4)44-45(35(17-6-2)18-7-3)47(40-26-13-22-34-20-11-12-25-39(34)40)49-42-28-15-24-36-23-14-27-41(43(36)42)48(49)46(44)38-30-29-33-19-9-10-21-37(33)31-38/h5-6,8-31H,1,4,7H2,2-3H3/b17-6-,32-16+,35-18+
InChIKeyGGGJCFZYKVLLNT-BYNGSLPZSA-N
XLogP14.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.84
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]phenyl]-N-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-amine
CID 143743724
9-[3-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylphenyl]-10-naphthalen-1-ylanthracene
CID 159326588
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene
CID 143094204
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
CID 142474091
9-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-phenylanthracen-2-yl]naphtho[2,1-b][1]benzothiole
CID 118629813
ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-10-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]anthracene
CID 168994151
4-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412858
1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene
CID 160935690
9-naphthalen-1-yl-10-[5-[(3E)-penta-1,3-dien-3-yl]naphthalen-1-yl]anthracene
CID 144925092
5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene
CID 143060546
9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene
CID 145174551

Frequently Asked Questions

What is the IUPAC name of 8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene?
The IUPAC name of 8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene (CID 143743108) is 8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene.
What is the SMILES notation for 8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene?
The canonical SMILES for 8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene is C=C/C=C(\C=C)c1c(C(/C=C\C)=C/CC)c(-c2cccc3ccccc23)c2c(c1-c1ccc3ccccc3c1)-c1cccc3cccc-2c13.
What is the InChIKey of 8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene?
The InChIKey is GGGJCFZYKVLLNT-BYNGSLPZSA-N. The full InChI is InChI=1S/C49H38/c1-5-16-32(8-4)44-45(35(17-6-2)18-7-3)47(40-26-13-22-34-20-11-12-25-39(34)40)49-42-28-15-24-36-23-14-27-41(43(36)42)48(49)46(44)38-30-29-33-19-9-10-21-37(33)31-38/h5-6,8-31H,1,4,7H2,2-3H3/b17-6-,32-16+,35-18+.
What are the key properties of 8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene?
8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene has a molecular weight of 626.84 g/mol, XLogP of 14.25, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2Z,4E)-hepta-2,4-dien-4-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]-7-naphthalen-1-yl-10-naphthalen-2-ylfluoranthene is sourced from PubChem (CID 143743108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).