7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene

C44H34 — CID 158811185

IUPAC7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3c(c21)-c1ccccc1C3(C)C
InChIInChI=1S/C44H34/c1-43(2)36-24-14-12-18-28(36)34-26-35(42-40(41(34)43)33-23-13-15-25-37(33)44(42,3)4)39-31-21-10-8-19-29(31)38(27-16-6-5-7-17-27)30-20-9-11-22-32(30)39/h5-26H,1-4H3
InChIKeyVXZWAOMOJZEGIM-UHFFFAOYSA-N
MW562.76 g/mol
LogP11.94
Rot. Bonds2

About 7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene

7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene (PubChem CID 158811185) has the molecular formula C44H34 and a molecular weight of 562.76 g/mol. Its IUPAC name is 7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene.

Molecular Properties

Compound Name7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
PubChem CID158811185
Molecular FormulaC44H34
Molecular Weight562.76 g/mol
Exact Mass562.27
IUPAC Name7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3c(c21)-c1ccccc1C3(C)C
InChIInChI=1S/C44H34/c1-43(2)36-24-14-12-18-28(36)34-26-35(42-40(41(34)43)33-23-13-15-25-37(33)44(42,3)4)39-31-21-10-8-19-29(31)38(27-16-6-5-7-17-27)30-20-9-11-22-32(30)39/h5-26H,1-4H3
InChIKeyVXZWAOMOJZEGIM-UHFFFAOYSA-N
XLogP11.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.76
LogP ≤ 511.94
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

6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene
CID 161226444
6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene
CID 159679931
10,10,12,12-tetramethyl-11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[2,1-b]fluorene
CID 161253003
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene
CID 160961587
10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene
CID 160577000
7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzothiole
CID 122427130
21,21-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 157131299
8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene
CID 140792291
9,9-dimethyl-11-(10-phenylanthracen-9-yl)-14-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
CID 130189693
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
3,3-dimethyl-12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene
CID 130189362

Frequently Asked Questions

What is the IUPAC name of 7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene?
The IUPAC name of 7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene (CID 158811185) is 7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene.
What is the SMILES notation for 7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene?
The canonical SMILES for 7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3c(c21)-c1ccccc1C3(C)C.
What is the InChIKey of 7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene?
The InChIKey is VXZWAOMOJZEGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34/c1-43(2)36-24-14-12-18-28(36)34-26-35(42-40(41(34)43)33-23-13-15-25-37(33)44(42,3)4)39-31-21-10-8-19-29(31)38(27-16-6-5-7-17-27)30-20-9-11-22-32(30)39/h5-26H,1-4H3.
What are the key properties of 7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene?
7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene has a molecular weight of 562.76 g/mol, XLogP of 11.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene is sourced from PubChem (CID 158811185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).