6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene

C50H34 — CID 144726294

IUPAC6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene
SMILESc1ccc2c(c1)CCc1c(-c3c4ccccc4c(-c4cc5ccccc5c5c4CCc4ccccc4-5)c4ccccc34)cc3ccccc3c1-2
InChIInChI=1S/C50H34/c1-5-17-35-31(13-1)25-27-43-45(29-33-15-3-7-19-37(33)47(35)43)49-39-21-9-11-23-41(39)50(42-24-12-10-22-40(42)49)46-30-34-16-4-8-20-38(34)48-36-18-6-2-14-32(36)26-28-44(46)48/h1-24,29-30H,25-28H2
InChIKeyGQPDOCGEYLTIFX-UHFFFAOYSA-N
MW634.82 g/mol
LogP13.16
Rot. Bonds2

About 6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene

6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene (PubChem CID 144726294) has the molecular formula C50H34 and a molecular weight of 634.82 g/mol. Its IUPAC name is 6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene.

Molecular Properties

Compound Name6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene
PubChem CID144726294
Molecular FormulaC50H34
Molecular Weight634.82 g/mol
Exact Mass634.27
IUPAC Name6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene
SMILESc1ccc2c(c1)CCc1c(-c3c4ccccc4c(-c4cc5ccccc5c5c4CCc4ccccc4-5)c4ccccc34)cc3ccccc3c1-2
InChIInChI=1S/C50H34/c1-5-17-35-31(13-1)25-27-43-45(29-33-15-3-7-19-37(33)47(35)43)49-39-21-9-11-23-41(39)50(42-24-12-10-22-40(42)49)46-30-34-16-4-8-20-38(34)48-36-18-6-2-14-32(36)26-28-44(46)48/h1-24,29-30H,25-28H2
InChIKeyGQPDOCGEYLTIFX-UHFFFAOYSA-N
XLogP13.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.82
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid
CID 141414000
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
4-naphthalen-1-yl-2,3-dihydrocyclopenta[b]naphthalen-1-one
CID 134969765
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
3-(10-naphthalen-1-ylanthracen-9-yl)-5,6-dihydrobenzo[c]phenanthrene
CID 144726296
9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 59858844
1-(12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaen-13-yl)naphthalen-2-ol
CID 137271237
hexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene
CID 21480
10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene
CID 135208654
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
3-hydroxy-1-phenanthren-2-yl-9,10-dihydrophenanthrene-4-carbonitrile
CID 101362889
9-(10-phenanthren-9-ylanthracen-9-yl)-7H-benzo[c]fluorene
CID 160788776

Frequently Asked Questions

What is the IUPAC name of 6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene?
The IUPAC name of 6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene (CID 144726294) is 6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene.
What is the SMILES notation for 6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene?
The canonical SMILES for 6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene is c1ccc2c(c1)CCc1c(-c3c4ccccc4c(-c4cc5ccccc5c5c4CCc4ccccc4-5)c4ccccc34)cc3ccccc3c1-2.
What is the InChIKey of 6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene?
The InChIKey is GQPDOCGEYLTIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34/c1-5-17-35-31(13-1)25-27-43-45(29-33-15-3-7-19-37(33)47(35)43)49-39-21-9-11-23-41(39)50(42-24-12-10-22-40(42)49)46-30-34-16-4-8-20-38(34)48-36-18-6-2-14-32(36)26-28-44(46)48/h1-24,29-30H,25-28H2.
What are the key properties of 6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene?
6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene has a molecular weight of 634.82 g/mol, XLogP of 13.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene is sourced from PubChem (CID 144726294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).