7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene

C47H32 — CID 142424780

IUPAC7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C4CC54)c4ccccc34)c2)cc1
InChIInChI=1S/C47H32/c1-3-13-30(14-4-1)33-25-34(31-15-5-2-6-16-31)27-35(26-33)47-41-21-11-9-19-39(41)46(40-20-10-12-22-42(40)47)32-23-24-38-43(28-32)36-17-7-8-18-37(36)44-29-45(38)44/h1-28,44-45H,29H2
InChIKeyNDUOJVFPTOIXSY-UHFFFAOYSA-N
MW596.77 g/mol
LogP12.91
Rot. Bonds4

About 7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene

7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene (PubChem CID 142424780) has the molecular formula C47H32 and a molecular weight of 596.77 g/mol. Its IUPAC name is 7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene.

Molecular Properties

Compound Name7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
PubChem CID142424780
Molecular FormulaC47H32
Molecular Weight596.77 g/mol
Exact Mass596.25
IUPAC Name7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C4CC54)c4ccccc34)c2)cc1
InChIInChI=1S/C47H32/c1-3-13-30(14-4-1)33-25-34(31-15-5-2-6-16-31)27-35(26-33)47-41-21-11-9-19-39(41)46(40-20-10-12-22-42(40)47)32-23-24-38-43(28-32)36-17-7-8-18-37(36)44-29-45(38)44/h1-28,44-45H,29H2
InChIKeyNDUOJVFPTOIXSY-UHFFFAOYSA-N
XLogP12.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.77
LogP ≤ 512.91
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-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
CID 142424590
7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
CID 142424653
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
7-[4-[10-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)anthracen-9-yl]phenyl]naphthalene-1,2,3,4,5,6,8-heptol
CID 163725509
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837476
9-phenyl-10-[6-(4-phenylphenyl)-8-[4-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837417
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
9-[8-(3,5-diphenylphenyl)-6-phenylnaphthalen-2-yl]-10-phenylanthracene
CID 144837395

Frequently Asked Questions

What is the IUPAC name of 7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene?
The IUPAC name of 7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene (CID 142424780) is 7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene.
What is the SMILES notation for 7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene?
The canonical SMILES for 7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene is c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C4CC54)c4ccccc34)c2)cc1.
What is the InChIKey of 7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene?
The InChIKey is NDUOJVFPTOIXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32/c1-3-13-30(14-4-1)33-25-34(31-15-5-2-6-16-31)27-35(26-33)47-41-21-11-9-19-39(41)46(40-20-10-12-22-42(40)47)32-23-24-38-43(28-32)36-17-7-8-18-37(36)44-29-45(38)44/h1-28,44-45H,29H2.
What are the key properties of 7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene?
7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene has a molecular weight of 596.77 g/mol, XLogP of 12.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene is sourced from PubChem (CID 142424780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).