2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]

C57H44 — CID 59195931

IUPAC2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c4ccc(-c5cccc6ccccc56)cc34)cccc21
InChIInChI=1S/C57H44/c1-56(2)49-25-10-9-22-46(49)55-47(24-15-27-51(55)56)54-44-21-7-6-20-43(44)53(45-31-28-37(34-48(45)54)40-23-14-17-36-16-4-5-18-39(36)40)38-29-30-42-41-19-8-11-26-50(41)57(52(42)35-38)32-12-3-13-33-57/h4-11,14-31,34-35H,3,12-13,32-33H2,1-2H3
InChIKeyUOGFUBSRRFJQHZ-UHFFFAOYSA-N
MW728.98 g/mol
LogP15.68
Rot. Bonds3

About 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]

2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene] (PubChem CID 59195931) has the molecular formula C57H44 and a molecular weight of 728.98 g/mol. Its IUPAC name is 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene].

Molecular Properties

Compound Name2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
PubChem CID59195931
Molecular FormulaC57H44
Molecular Weight728.98 g/mol
Exact Mass728.34
IUPAC Name2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c4ccc(-c5cccc6ccccc56)cc34)cccc21
InChIInChI=1S/C57H44/c1-56(2)49-25-10-9-22-46(49)55-47(24-15-27-51(55)56)54-44-21-7-6-20-43(44)53(45-31-28-37(34-48(45)54)40-23-14-17-36-16-4-5-18-39(36)40)38-29-30-42-41-19-8-11-26-50(41)57(52(42)35-38)32-12-3-13-33-57/h4-11,14-31,34-35H,3,12-13,32-33H2,1-2H3
InChIKeyUOGFUBSRRFJQHZ-UHFFFAOYSA-N
XLogP15.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.98
LogP ≤ 515.68
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-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196314
2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
CID 59195417
2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
CID 59196407
2'-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
CID 59195936
4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 159232925
2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 59196344
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175465
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-2-ylanthracene
CID 59195049
4-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]pyridine
CID 59194825
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 59194727
3-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]perylene;2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9'-spirobi[fluorene];2'-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
CID 161380807
9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 171743014

Frequently Asked Questions

What is the IUPAC name of 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]?
The IUPAC name of 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene] (CID 59195931) is 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene].
What is the SMILES notation for 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]?
The canonical SMILES for 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene] is CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c4ccc(-c5cccc6ccccc56)cc34)cccc21.
What is the InChIKey of 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]?
The InChIKey is UOGFUBSRRFJQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44/c1-56(2)49-25-10-9-22-46(49)55-47(24-15-27-51(55)56)54-44-21-7-6-20-43(44)53(45-31-28-37(34-48(45)54)40-23-14-17-36-16-4-5-18-39(36)40)38-29-30-42-41-19-8-11-26-50(41)57(52(42)35-38)32-12-3-13-33-57/h4-11,14-31,34-35H,3,12-13,32-33H2,1-2H3.
What are the key properties of 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]?
2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene] has a molecular weight of 728.98 g/mol, XLogP of 15.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene] is sourced from PubChem (CID 59195931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).