6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene

C54H40 — CID 160961587

IUPAC6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene
SMILESCC1(C)c2ccccc2-c2c1cc1c(c2-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)C(C)(C)c2ccccc2-1
InChIInChI=1S/C54H40/c1-53(2)46-30-14-12-27-43(46)51-47(53)32-44-37-22-11-13-29-45(37)54(3,4)52(44)49(51)35-20-15-19-34(31-35)48-39-23-7-9-25-41(39)50(42-26-10-8-24-40(42)48)38-28-16-18-33-17-5-6-21-36(33)38/h5-32H,1-4H3
InChIKeyOJWAOYCBIYJMFW-UHFFFAOYSA-N
MW688.91 g/mol
LogP14.76
Rot. Bonds3

About 6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene

6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene (PubChem CID 160961587) has the molecular formula C54H40 and a molecular weight of 688.91 g/mol. Its IUPAC name is 6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene.

Molecular Properties

Compound Name6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene
PubChem CID160961587
Molecular FormulaC54H40
Molecular Weight688.91 g/mol
Exact Mass688.31
IUPAC Name6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene
SMILESCC1(C)c2ccccc2-c2c1cc1c(c2-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)C(C)(C)c2ccccc2-1
InChIInChI=1S/C54H40/c1-53(2)46-30-14-12-27-43(46)51-47(53)32-44-37-22-11-13-29-45(37)54(3,4)52(44)49(51)35-20-15-19-34(31-35)48-39-23-7-9-25-41(39)50(42-26-10-8-24-40(42)48)38-28-16-18-33-17-5-6-21-36(33)38/h5-32H,1-4H3
InChIKeyOJWAOYCBIYJMFW-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.91
LogP ≤ 514.76
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
10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene
CID 160577000
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene
CID 159679931
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239
7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 91082381
9-(9,9-dimethylfluoren-2-yl)-10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 161365610
7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
CID 158811185
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
4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 159232925
6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene
CID 161226444
7,7-dimethyl-5-[10-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]anthracen-9-yl]benzo[c]fluorene
CID 123322545

Frequently Asked Questions

What is the IUPAC name of 6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene?
The IUPAC name of 6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene (CID 160961587) is 6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene.
What is the SMILES notation for 6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene?
The canonical SMILES for 6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene is CC1(C)c2ccccc2-c2c1cc1c(c2-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)C(C)(C)c2ccccc2-1.
What is the InChIKey of 6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene?
The InChIKey is OJWAOYCBIYJMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40/c1-53(2)46-30-14-12-27-43(46)51-47(53)32-44-37-22-11-13-29-45(37)54(3,4)52(44)49(51)35-20-15-19-34(31-35)48-39-23-7-9-25-41(39)50(42-26-10-8-24-40(42)48)38-28-16-18-33-17-5-6-21-36(33)38/h5-32H,1-4H3.
What are the key properties of 6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene?
6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene has a molecular weight of 688.91 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene is sourced from PubChem (CID 160961587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).