7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene

C50H38 — CID 158411932

IUPAC7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
SMILESCC1(C)c2cc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)ccc2-c2c1ccc1c2C(C)(C)c2ccccc2-1
InChIInChI=1S/C50H38/c1-49(2)43-28-27-40-35-19-12-13-24-42(35)50(3,4)48(40)47(43)41-26-25-33(30-44(41)49)32-17-14-18-34(29-32)46-38-22-10-8-20-36(38)45(31-15-6-5-7-16-31)37-21-9-11-23-39(37)46/h5-30H,1-4H3
InChIKeyRDRBFFOBYOKUGO-UHFFFAOYSA-N
MW638.85 g/mol
LogP13.61
Rot. Bonds3

About 7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene

7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene (PubChem CID 158411932) has the molecular formula C50H38 and a molecular weight of 638.85 g/mol. Its IUPAC name is 7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene.

Molecular Properties

Compound Name7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
PubChem CID158411932
Molecular FormulaC50H38
Molecular Weight638.85 g/mol
Exact Mass638.30
IUPAC Name7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
SMILESCC1(C)c2cc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)ccc2-c2c1ccc1c2C(C)(C)c2ccccc2-1
InChIInChI=1S/C50H38/c1-49(2)43-28-27-40-35-19-12-13-24-42(35)50(3,4)48(40)47(43)41-26-25-33(30-44(41)49)32-17-14-18-34(29-32)46-38-22-10-8-20-36(38)45(31-15-6-5-7-16-31)37-21-9-11-23-39(37)46/h5-30H,1-4H3
InChIKeyRDRBFFOBYOKUGO-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.85
LogP ≤ 513.61
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-(3-phenylphenyl)anthracene
CID 58782801
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-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182575
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
17-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 159143787
6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene
CID 159679931
9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140784212

Frequently Asked Questions

What is the IUPAC name of 7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene?
The IUPAC name of 7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene (CID 158411932) is 7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene.
What is the SMILES notation for 7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene?
The canonical SMILES for 7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene is CC1(C)c2cc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)ccc2-c2c1ccc1c2C(C)(C)c2ccccc2-1.
What is the InChIKey of 7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene?
The InChIKey is RDRBFFOBYOKUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38/c1-49(2)43-28-27-40-35-19-12-13-24-42(35)50(3,4)48(40)47(43)41-26-25-33(30-44(41)49)32-17-14-18-34(29-32)46-38-22-10-8-20-36(38)45(31-15-6-5-7-16-31)37-21-9-11-23-39(37)46/h5-30H,1-4H3.
What are the key properties of 7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene?
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene has a molecular weight of 638.85 g/mol, XLogP of 13.61, 3 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-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene is sourced from PubChem (CID 158411932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).