2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]

C59H36 — CID 58251701

IUPAC2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc21
InChIInChI=1S/C59H36/c1-3-15-39-33-43(27-25-37(39)13-1)57-49-20-5-6-21-50(49)58(44-28-26-38-14-2-4-16-40(38)34-44)52-35-41(30-32-51(52)57)42-29-31-48-47-19-9-12-24-55(47)59(56(48)36-42)53-22-10-7-17-45(53)46-18-8-11-23-54(46)59/h1-36H
InChIKeyFNOMSVLBKKGVLY-UHFFFAOYSA-N
MW744.94 g/mol
LogP15.64
Rot. Bonds3

About 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]

2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene] (PubChem CID 58251701) has the molecular formula C59H36 and a molecular weight of 744.94 g/mol. Its IUPAC name is 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
PubChem CID58251701
Molecular FormulaC59H36
Molecular Weight744.94 g/mol
Exact Mass744.28
IUPAC Name2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc21
InChIInChI=1S/C59H36/c1-3-15-39-33-43(27-25-37(39)13-1)57-49-20-5-6-21-50(49)58(44-28-26-38-14-2-4-16-40(38)34-44)52-35-41(30-32-51(52)57)42-29-31-48-47-19-9-12-24-55(47)59(56(48)36-42)53-22-10-7-17-45(53)46-18-8-11-23-54(46)59/h1-36H
InChIKeyFNOMSVLBKKGVLY-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

14',21'-dinaphthalen-2-ylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]
CID 58175305
7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962634
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59195354
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
17'-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]
CID 140962446
10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59196658
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]?
The IUPAC name of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene] (CID 58251701) is 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc21.
What is the InChIKey of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]?
The InChIKey is FNOMSVLBKKGVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36/c1-3-15-39-33-43(27-25-37(39)13-1)57-49-20-5-6-21-50(49)58(44-28-26-38-14-2-4-16-40(38)34-44)52-35-41(30-32-51(52)57)42-29-31-48-47-19-9-12-24-55(47)59(56(48)36-42)53-22-10-7-17-45(53)46-18-8-11-23-54(46)59/h1-36H.
What are the key properties of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]?
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[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-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 58251701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).