2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]

C59H36 — CID 153485112

IUPAC2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C59H36/c1-2-18-42-37(14-1)15-11-25-43(42)38-30-32-40(33-31-38)56-48-21-3-5-23-50(48)57(51-24-6-4-22-49(51)56)41-34-35-46-44-19-7-9-27-52(44)59(55(46)36-41)53-28-10-8-20-45(53)47-26-12-16-39-17-13-29-54(59)58(39)47/h1-36H
InChIKeyDYHMKEZAEORQMN-UHFFFAOYSA-N
MW744.94 g/mol
LogP15.64
Rot. Bonds3

About 2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]

2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene] (PubChem CID 153485112) has the molecular formula C59H36 and a molecular weight of 744.94 g/mol. Its IUPAC name is 2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene].

Molecular Properties

Compound Name2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
PubChem CID153485112
Molecular FormulaC59H36
Molecular Weight744.94 g/mol
Exact Mass744.28
IUPAC Name2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C59H36/c1-2-18-42-37(14-1)15-11-25-43(42)38-30-32-40(33-31-38)56-48-21-3-5-23-50(48)57(51-24-6-4-22-49(51)56)41-34-35-46-44-19-7-9-27-52(44)59(55(46)36-41)53-28-10-8-20-45(53)47-26-12-16-39-17-13-29-54(59)58(39)47/h1-36H
InChIKeyDYHMKEZAEORQMN-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'}

Analyze 2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485119
2'-[12-(4-naphthalen-1-ylphenyl)chrysen-6-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485109
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
2'-[8-(4-phenylphenyl)-17-tricyclo[8.8.0.02,7]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485110
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
1-N,4-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]-1-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzene-1,4-diamine;1-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-1-N,4-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine;1-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-1-N,4-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 158431824
9-naphthalen-2-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 123292733
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
2,7-dinaphthalen-1-ylspiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]
CID 140836726
5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene
CID 144772590
2-naphthalen-1-ylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 140873354

Frequently Asked Questions

What is the IUPAC name of 2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]?
The IUPAC name of 2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene] (CID 153485112) is 2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene].
What is the SMILES notation for 2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]?
The canonical SMILES for 2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene] is c1ccc2c(c1)-c1ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)cc1C21c2ccccc2-c2cccc3cccc1c23.
What is the InChIKey of 2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]?
The InChIKey is DYHMKEZAEORQMN-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)56-48-21-3-5-23-50(48)57(51-24-6-4-22-49(51)56)41-34-35-46-44-19-7-9-27-52(44)59(55(46)36-41)53-28-10-8-20-45(53)47-26-12-16-39-17-13-29-54(59)58(39)47/h1-36H.
What are the key properties of 2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]?
2'-[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 2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene] is sourced from PubChem (CID 153485112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).