3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]

C59H36 — CID 153485119

IUPAC3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
SMILESc1ccc2c(c1)-c1cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C59H36/c1-2-18-42-37(14-1)15-11-25-43(42)38-30-32-40(33-31-38)56-47-21-3-5-23-49(47)57(50-24-6-4-22-48(50)56)41-34-35-54-51(36-41)45-20-8-10-28-53(45)59(54)52-27-9-7-19-44(52)46-26-12-16-39-17-13-29-55(59)58(39)46/h1-36H
InChIKeyHRLZMCQORPIICN-UHFFFAOYSA-N
MW744.94 g/mol
LogP15.64
Rot. Bonds3

About 3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]

3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene] (PubChem CID 153485119) has the molecular formula C59H36 and a molecular weight of 744.94 g/mol. Its IUPAC name is 3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene].

Molecular Properties

Compound Name3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
PubChem CID153485119
Molecular FormulaC59H36
Molecular Weight744.94 g/mol
Exact Mass744.28
IUPAC Name3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
SMILESc1ccc2c(c1)-c1cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C59H36/c1-2-18-42-37(14-1)15-11-25-43(42)38-30-32-40(33-31-38)56-47-21-3-5-23-49(47)57(50-24-6-4-22-48(50)56)41-34-35-54-51(36-41)45-20-8-10-28-53(45)59(54)52-27-9-7-19-44(52)46-26-12-16-39-17-13-29-55(59)58(39)46/h1-36H
InChIKeyHRLZMCQORPIICN-UHFFFAOYSA-N
XLogP15.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.94
LogP ≤ 515.64
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

2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485112
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
2'-[12-(4-naphthalen-1-ylphenyl)chrysen-6-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485109
3'-bromospiro[benzo[a]phenalene-7,9'-fluorene];(10-phenylanthracen-9-yl)boronic acid;3'-(10-phenylanthracen-9-yl)spiro[benzo[a]phenalene-7,9'-fluorene]
CID 160996451
9-naphthalen-2-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 123292733
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
5'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962763
4,6-bis(4-naphthalen-1-ylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 130261377
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
22'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962518
23,23-dimethyl-19-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 140934962
11,11-dimethyl-8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
CID 163751276

Frequently Asked Questions

What is the IUPAC name of 3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]?
The IUPAC name of 3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene] (CID 153485119) is 3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene].
What is the SMILES notation for 3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]?
The canonical SMILES for 3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene] is c1ccc2c(c1)-c1cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc1C21c2ccccc2-c2cccc3cccc1c23.
What is the InChIKey of 3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]?
The InChIKey is HRLZMCQORPIICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36/c1-2-18-42-37(14-1)15-11-25-43(42)38-30-32-40(33-31-38)56-47-21-3-5-23-49(47)57(50-24-6-4-22-48(50)56)41-34-35-54-51(36-41)45-20-8-10-28-53(45)59(54)52-27-9-7-19-44(52)46-26-12-16-39-17-13-29-55(59)58(39)46/h1-36H.
What are the key properties of 3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]?
3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene] has a molecular weight of 744.94 g/mol, XLogP of 15.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene] is sourced from PubChem (CID 153485119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).