5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene

C48H36 — CID 91114293

IUPAC5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc5c(c6ccccc46)-c4ccccc4C5(C)C)c4ccccc34)cc21
InChIInChI=1S/C48H36/c1-47(2)40-23-13-11-16-31(40)32-26-25-29(27-42(32)47)44-34-18-7-9-20-36(34)45(37-21-10-8-19-35(37)44)39-28-43-46(33-17-6-5-15-30(33)39)38-22-12-14-24-41(38)48(43,3)4/h5-28H,1-4H3
InChIKeyWNNHUHCSYYDTKS-UHFFFAOYSA-N
MW612.82 g/mol
LogP13.09
Rot. Bonds2

About 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene

5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene (PubChem CID 91114293) has the molecular formula C48H36 and a molecular weight of 612.82 g/mol. Its IUPAC name is 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene.

Molecular Properties

Compound Name5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
PubChem CID91114293
Molecular FormulaC48H36
Molecular Weight612.82 g/mol
Exact Mass612.28
IUPAC Name5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc5c(c6ccccc46)-c4ccccc4C5(C)C)c4ccccc34)cc21
InChIInChI=1S/C48H36/c1-47(2)40-23-13-11-16-31(40)32-26-25-29(27-42(32)47)44-34-18-7-9-20-36(34)45(37-21-10-8-19-35(37)44)39-28-43-46(33-17-6-5-15-30(33)39)38-22-12-14-24-41(38)48(43,3)4/h5-28H,1-4H3
InChIKeyWNNHUHCSYYDTKS-UHFFFAOYSA-N
XLogP13.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.82
LogP ≤ 513.09
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-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
9-(9,9-dimethylfluoren-2-yl)-15-[4-[15-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479671
9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 153447199
5-[10-(4-fluorophenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 88549809
2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene
CID 123157608
11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 160671642
5-[10-(4-tert-butylphenyl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 123566390
9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140961805
9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene
CID 142701707
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 159232925

Frequently Asked Questions

What is the IUPAC name of 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene?
The IUPAC name of 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene (CID 91114293) is 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene.
What is the SMILES notation for 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene?
The canonical SMILES for 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc5c(c6ccccc46)-c4ccccc4C5(C)C)c4ccccc34)cc21.
What is the InChIKey of 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene?
The InChIKey is WNNHUHCSYYDTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36/c1-47(2)40-23-13-11-16-31(40)32-26-25-29(27-42(32)47)44-34-18-7-9-20-36(34)45(37-21-10-8-19-35(37)44)39-28-43-46(33-17-6-5-15-30(33)39)38-22-12-14-24-41(38)48(43,3)4/h5-28H,1-4H3.
What are the key properties of 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene?
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene has a molecular weight of 612.82 g/mol, XLogP of 13.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene is sourced from PubChem (CID 91114293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).