10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene

C60H56 — CID 123512753

IUPAC10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene
SMILESC1=CC2=C(CC1)C1=C(C=CCC1)C(C1=CCCC(C3=CC4=C(CC3)c3ccc(C5=CC=C(C6=CC(c7cc8ccccc8c8c7C=CCC8)=CCC6)CC5)cc3CC4)=C1)C2
InChIInChI=1S/C60H56/c1-3-17-51-47(11-1)37-59(57-21-7-5-19-55(51)57)45-15-9-13-41(33-45)39-23-25-40(26-24-39)43-29-31-53-49(35-43)27-28-50-36-44(30-32-54(50)53)42-14-10-16-46(34-42)60-38-48-12-2-4-18-52(48)56-20-6-8-22-58(56)60/h1-3,7-8,11-12,15-17,21-23,25,29,31,33-37,60H,4-6,9-10,13-14,18-20,24,26-28,30,32,38H2
InChIKeyZUYZZAYALBTRHY-UHFFFAOYSA-N
MW777.11 g/mol
LogP16.09
Rot. Bonds5

About 10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene

10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene (PubChem CID 123512753) has the molecular formula C60H56 and a molecular weight of 777.11 g/mol. Its IUPAC name is 10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene.

Molecular Properties

Compound Name10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene
PubChem CID123512753
Molecular FormulaC60H56
Molecular Weight777.11 g/mol
Exact Mass776.44
IUPAC Name10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene
SMILESC1=CC2=C(CC1)C1=C(C=CCC1)C(C1=CCCC(C3=CC4=C(CC3)c3ccc(C5=CC=C(C6=CC(c7cc8ccccc8c8c7C=CCC8)=CCC6)CC5)cc3CC4)=C1)C2
InChIInChI=1S/C60H56/c1-3-17-51-47(11-1)37-59(57-21-7-5-19-55(51)57)45-15-9-13-41(33-45)39-23-25-40(26-24-39)43-29-31-53-49(35-43)27-28-50-36-44(30-32-54(50)53)42-14-10-16-46(34-42)60-38-48-12-2-4-18-52(48)56-20-6-8-22-58(56)60/h1-3,7-8,11-12,15-17,21-23,25,29,31,33-37,60H,4-6,9-10,13-14,18-20,24,26-28,30,32,38H2
InChIKeyZUYZZAYALBTRHY-UHFFFAOYSA-N
XLogP16.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.11
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene with MolForge

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Related Compounds

3-[3-(4a,7,8,10a-tetrahydrophenanthren-2-yl)cyclohexa-1,3-dien-1-yl]-10-[3-(1,2,4b,8a-tetrahydrophenanthren-2-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrotriphenylene
CID 123617076
4-[3-(5,6-dihydrophenanthren-9-yl)-5-(5-phenyl-2,3-dihydropyridin-2-yl)phenyl]-2,6-diphenylpyridine
CID 166842304
3-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 146269874
4-[5-[6-[(6R)-7-cyclohexa-1,5-dien-1-yl-3-bicyclo[4.1.0]hepta-1(7),2,4-trienyl]-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]cyclohexa-1,5-dien-1-yl]isoquinoline
CID 131993040
(1E,3E,7Z)-4-[3-[6-[3-[4-(methylamino)phenyl]phenyl]-2-phenanthren-9-ylpyrimidin-4-yl]phenyl]cycloocta-1,3,7-trien-1-amine;prop-1-ene
CID 143239996
12-(1,7,8,8a-tetrahydronaphthalen-1-yl)-6-(7,8-dihydronaphthalen-1-yl)-3-[6-(3,4,7,8-tetrahydronaphthalen-2-yl)-7,8-dihydronaphthalen-2-yl]-1,2,10,10a-tetrahydrochrysene
CID 91058968
7-(3,4,7,8-tetrahydronaphthalen-2-yl)-1,9,10,10a-tetrahydrophenanthrene
CID 123872795
4-benzo[a]anthracen-7-yl-2-(5,6-dihydronaphthalen-1-yl)benzenethiol
CID 167274212
2-cyclohexa-1,5-dien-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 167008419
12-(1,2,4b,8a-tetrahydrophenanthren-2-yl)-6-(1,2-dihydrophenanthren-2-yl)-3-(3,4,5,6,9,10-hexahydrophenanthren-2-yl)-1,2,4b,10,10a,10b-hexahydrochrysene
CID 91099301
9-(7,8-dihydronaphthalen-2-yl)-10-(6,7-dihydrophenanthren-9-yl)-2,3-dihydroanthracene
CID 123848237
4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene
CID 146670353

Frequently Asked Questions

What is the IUPAC name of 10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene?
The IUPAC name of 10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene (CID 123512753) is 10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene.
What is the SMILES notation for 10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene?
The canonical SMILES for 10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene is C1=CC2=C(CC1)C1=C(C=CCC1)C(C1=CCCC(C3=CC4=C(CC3)c3ccc(C5=CC=C(C6=CC(c7cc8ccccc8c8c7C=CCC8)=CCC6)CC5)cc3CC4)=C1)C2.
What is the InChIKey of 10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene?
The InChIKey is ZUYZZAYALBTRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H56/c1-3-17-51-47(11-1)37-59(57-21-7-5-19-55(51)57)45-15-9-13-41(33-45)39-23-25-40(26-24-39)43-29-31-53-49(35-43)27-28-50-36-44(30-32-54(50)53)42-14-10-16-46(34-42)60-38-48-12-2-4-18-52(48)56-20-6-8-22-58(56)60/h1-3,7-8,11-12,15-17,21-23,25,29,31,33-37,60H,4-6,9-10,13-14,18-20,24,26-28,30,32,38H2.
What are the key properties of 10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene?
10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene has a molecular weight of 777.11 g/mol, XLogP of 16.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-[4-[7-[3-(3,4,5,6,9,10-hexahydrophenanthren-9-yl)cyclohexa-1,3-dien-1-yl]-5,6,9,10-tetrahydrophenanthren-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrophenanthrene is sourced from PubChem (CID 123512753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).