9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene

C45H33F — CID 89139270

IUPAC9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene
SMILESCC1(C)C2=C(CCC=C2)c2cc(-c3c4ccccc4c(-c4ccc(F)cc4)c4ccc(-c5cccc6ccccc56)cc34)ccc21
InChIInChI=1S/C45H33F/c1-45(2)41-17-8-7-13-35(41)39-27-31(21-25-42(39)45)44-37-15-6-5-14-36(37)43(29-18-22-32(46)23-19-29)38-24-20-30(26-40(38)44)34-16-9-11-28-10-3-4-12-33(28)34/h3-6,8-12,14-27H,7,13H2,1-2H3
InChIKeyRWNXUAPBBNAIHA-UHFFFAOYSA-N
MW592.76 g/mol
LogP12.68
Rot. Bonds3

About 9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene

9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene (PubChem CID 89139270) has the molecular formula C45H33F and a molecular weight of 592.76 g/mol. Its IUPAC name is 9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene.

Molecular Properties

Compound Name9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene
PubChem CID89139270
Molecular FormulaC45H33F
Molecular Weight592.76 g/mol
Exact Mass592.26
IUPAC Name9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene
SMILESCC1(C)C2=C(CCC=C2)c2cc(-c3c4ccccc4c(-c4ccc(F)cc4)c4ccc(-c5cccc6ccccc56)cc34)ccc21
InChIInChI=1S/C45H33F/c1-45(2)41-17-8-7-13-35(41)39-27-31(21-25-42(39)45)44-37-15-6-5-14-36(37)43(29-18-22-32(46)23-19-29)38-24-20-30(26-40(38)44)34-16-9-11-28-10-3-4-12-33(28)34/h3-6,8-12,14-27H,7,13H2,1-2H3
InChIKeyRWNXUAPBBNAIHA-UHFFFAOYSA-N
XLogP12.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.76
LogP ≤ 512.68
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

9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole
CID 89139288
N-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine
CID 89139267
9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene
CID 59196077
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196012
21,21-dimethyl-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 140724624
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
7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724252
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
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9,10-diphenylanthracene
CID 58251720
4-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]pyridine
CID 59194825
9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene
CID 59195494

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene?
The IUPAC name of 9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene (CID 89139270) is 9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene.
What is the SMILES notation for 9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene?
The canonical SMILES for 9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene is CC1(C)C2=C(CCC=C2)c2cc(-c3c4ccccc4c(-c4ccc(F)cc4)c4ccc(-c5cccc6ccccc56)cc34)ccc21.
What is the InChIKey of 9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene?
The InChIKey is RWNXUAPBBNAIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33F/c1-45(2)41-17-8-7-13-35(41)39-27-31(21-25-42(39)45)44-37-15-6-5-14-36(37)43(29-18-22-32(46)23-19-29)38-24-20-30(26-40(38)44)34-16-9-11-28-10-3-4-12-33(28)34/h3-6,8-12,14-27H,7,13H2,1-2H3.
What are the key properties of 9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene?
9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene has a molecular weight of 592.76 g/mol, XLogP of 12.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene is sourced from PubChem (CID 89139270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).