3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]

C47H28 — CID 59702604

IUPAC3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]
SMILESc1ccc(-c2c3ccccc3c(-c3cc4c5c(ccc6cccc(c65)C45c4ccccc4-c4ccccc45)c3)c3ccccc23)cc1
InChIInChI=1S/C47H28/c1-2-13-29(14-3-1)43-35-18-4-6-20-37(35)44(38-21-7-5-19-36(38)43)32-27-31-26-25-30-15-12-24-41-45(30)46(31)42(28-32)47(41)39-22-10-8-16-33(39)34-17-9-11-23-40(34)47/h1-28H
InChIKeyFKSGWKMZWHEMJR-UHFFFAOYSA-N
MW592.74 g/mol
LogP12.31
Rot. Bonds2

About 3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]

3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene] (PubChem CID 59702604) has the molecular formula C47H28 and a molecular weight of 592.74 g/mol. Its IUPAC name is 3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene].

Molecular Properties

Compound Name3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]
PubChem CID59702604
Molecular FormulaC47H28
Molecular Weight592.74 g/mol
Exact Mass592.22
IUPAC Name3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]
SMILESc1ccc(-c2c3ccccc3c(-c3cc4c5c(ccc6cccc(c65)C45c4ccccc4-c4ccccc45)c3)c3ccccc23)cc1
InChIInChI=1S/C47H28/c1-2-13-29(14-3-1)43-35-18-4-6-20-37(35)44(38-21-7-5-19-36(38)43)32-27-31-26-25-30-15-12-24-41-45(30)46(31)42(28-32)47(41)39-22-10-8-16-33(39)34-17-9-11-23-40(34)47/h1-28H
InChIKeyFKSGWKMZWHEMJR-UHFFFAOYSA-N
XLogP12.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.74
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene] with MolForge

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Related Compounds

3-[4-[10-[4-(3,5-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 59702614
15,15-diphenyl-3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 59702595
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485112
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 59702596
N,N-bis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]-3'-amine;spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]
CID 158405028
4'-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]-9,9'-spirobi[fluorene]
CID 156677063
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine
CID 149015479
3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485119
2,4-diphenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)pyridine
CID 153357783
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine
CID 153357769

Frequently Asked Questions

What is the IUPAC name of 3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]?
The IUPAC name of 3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene] (CID 59702604) is 3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene].
What is the SMILES notation for 3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]?
The canonical SMILES for 3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene] is c1ccc(-c2c3ccccc3c(-c3cc4c5c(ccc6cccc(c65)C45c4ccccc4-c4ccccc45)c3)c3ccccc23)cc1.
What is the InChIKey of 3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]?
The InChIKey is FKSGWKMZWHEMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28/c1-2-13-29(14-3-1)43-35-18-4-6-20-37(35)44(38-21-7-5-19-36(38)43)32-27-31-26-25-30-15-12-24-41-45(30)46(31)42(28-32)47(41)39-22-10-8-16-33(39)34-17-9-11-23-40(34)47/h1-28H.
What are the key properties of 3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]?
3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene] has a molecular weight of 592.74 g/mol, XLogP of 12.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(10-phenylanthracen-9-yl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene] is sourced from PubChem (CID 59702604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).