10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene

C48H36 — CID 160577000

IUPAC10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene
SMILESCC1(C)c2ccccc2-c2cc3c(c(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c21)C(C)(C)c1ccccc1-3
InChIInChI=1S/C48H36/c1-47(2)40-26-13-11-19-31(40)38-28-39-32-20-12-14-27-41(32)48(3,4)46(39)44(45(38)47)43-36-23-9-7-21-34(36)42(35-22-8-10-24-37(35)43)33-25-15-17-29-16-5-6-18-30(29)33/h5-28H,1-4H3
InChIKeyZYEBGJMWXRTMNF-UHFFFAOYSA-N
MW612.82 g/mol
LogP13.09
Rot. Bonds2

About 10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene

10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene (PubChem CID 160577000) has the molecular formula C48H36 and a molecular weight of 612.82 g/mol. Its IUPAC name is 10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene.

Molecular Properties

Compound Name10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene
PubChem CID160577000
Molecular FormulaC48H36
Molecular Weight612.82 g/mol
Exact Mass612.28
IUPAC Name10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene
SMILESCC1(C)c2ccccc2-c2cc3c(c(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c21)C(C)(C)c1ccccc1-3
InChIInChI=1S/C48H36/c1-47(2)40-26-13-11-19-31(40)38-28-39-32-20-12-14-27-41(32)48(3,4)46(39)44(45(38)47)43-36-23-9-7-21-34(36)42(35-22-8-10-24-37(35)43)33-25-15-17-29-16-5-6-18-30(29)33/h5-28H,1-4H3
InChIKeyZYEBGJMWXRTMNF-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

10,10,12,12-tetramethyl-11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[2,1-b]fluorene
CID 161253003
6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene
CID 160961587
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
CID 158811185
7,7-dimethyl-5-[10-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]anthracen-9-yl]benzo[c]fluorene
CID 123322545
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline
CID 59183079
21-fluoranthen-3-yl-10,10-dimethyl-14-naphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58175326
6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene
CID 161226444
5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282310
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 165023412

Frequently Asked Questions

What is the IUPAC name of 10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene?
The IUPAC name of 10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene (CID 160577000) is 10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene.
What is the SMILES notation for 10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene?
The canonical SMILES for 10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene is CC1(C)c2ccccc2-c2cc3c(c(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c21)C(C)(C)c1ccccc1-3.
What is the InChIKey of 10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene?
The InChIKey is ZYEBGJMWXRTMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36/c1-47(2)40-26-13-11-19-31(40)38-28-39-32-20-12-14-27-41(32)48(3,4)46(39)44(45(38)47)43-36-23-9-7-21-34(36)42(35-22-8-10-24-37(35)43)33-25-15-17-29-16-5-6-18-30(29)33/h5-28H,1-4H3.
What are the key properties of 10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene?
10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]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 10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene is sourced from PubChem (CID 160577000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).