6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene

C48H36 — CID 144726246

IUPAC6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene
SMILESC1=C\C/C=C\C(c2cccc(-c3c4ccccc4c(-c4cc5ccccc5c5c4CCc4ccccc4-5)c4ccccc34)c2)=C/C\C=C/1
InChIInChI=1S/C48H36/c1-2-4-6-17-33(18-7-5-3-1)35-21-16-22-37(31-35)46-40-25-12-14-27-42(40)48(43-28-15-13-26-41(43)46)45-32-36-20-9-11-24-39(36)47-38-23-10-8-19-34(38)29-30-44(45)47/h1-4,7-28,31-32H,5-6,29-30H2/b3-1-,4-2-,18-7-,33-17+
InChIKeyROFURLGUWLCNNQ-QTCLGNSESA-N
MW612.82 g/mol
LogP13.09
Rot. Bonds3

About 6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene

6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene (PubChem CID 144726246) has the molecular formula C48H36 and a molecular weight of 612.82 g/mol. Its IUPAC name is 6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene.

Molecular Properties

Compound Name6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene
PubChem CID144726246
Molecular FormulaC48H36
Molecular Weight612.82 g/mol
Exact Mass612.28
IUPAC Name6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene
SMILESC1=C\C/C=C\C(c2cccc(-c3c4ccccc4c(-c4cc5ccccc5c5c4CCc4ccccc4-5)c4ccccc34)c2)=C/C\C=C/1
InChIInChI=1S/C48H36/c1-2-4-6-17-33(18-7-5-3-1)35-21-16-22-37(31-35)46-40-25-12-14-27-42(40)48(43-28-15-13-26-41(43)46)45-32-36-20-9-11-24-39(36)47-38-23-10-8-19-34(38)29-30-44(45)47/h1-4,7-28,31-32H,5-6,29-30H2/b3-1-,4-2-,18-7-,33-17+
InChIKeyROFURLGUWLCNNQ-QTCLGNSESA-N
XLogP13.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.82
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene with MolForge

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Related Compounds

6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene
CID 144726294
3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene
CID 144726296
9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706323
7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid
CID 141414000
9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58151317
9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 143043863
9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 158707285
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
9-[3-(9H-fluoren-1-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848200
9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
CID 58194236
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576
9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786914

Frequently Asked Questions

What is the IUPAC name of 6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene?
The IUPAC name of 6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene (CID 144726246) is 6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene.
What is the SMILES notation for 6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene?
The canonical SMILES for 6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene is C1=C\C/C=C\C(c2cccc(-c3c4ccccc4c(-c4cc5ccccc5c5c4CCc4ccccc4-5)c4ccccc34)c2)=C/C\C=C/1.
What is the InChIKey of 6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene?
The InChIKey is ROFURLGUWLCNNQ-QTCLGNSESA-N. The full InChI is InChI=1S/C48H36/c1-2-4-6-17-33(18-7-5-3-1)35-21-16-22-37(31-35)46-40-25-12-14-27-42(40)48(43-28-15-13-26-41(43)46)45-32-36-20-9-11-24-39(36)47-38-23-10-8-19-34(38)29-30-44(45)47/h1-4,7-28,31-32H,5-6,29-30H2/b3-1-,4-2-,18-7-,33-17+.
What are the key properties of 6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene?
6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene has a molecular weight of 612.82 g/mol, XLogP of 13.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-[3-[(1E,4Z,6Z,9Z)-cyclodeca-1,4,6,9-tetraen-1-yl]phenyl]anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene is sourced from PubChem (CID 144726246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).