8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene

C53H38 — CID 140792291

IUPAC8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene
SMILESCC1(C)c2ccccc2-c2c1c(-c1cccc(-c3ccccc3)c1)cc1c(-c3ccccc3)c3ccccc3c(-c3cccc(-c4ccccc4)c3)c21
InChIInChI=1S/C53H38/c1-53(2)47-31-15-14-30-44(47)51-50-46(34-45(52(51)53)40-26-16-24-38(32-40)35-18-6-3-7-19-35)48(37-22-10-5-11-23-37)42-28-12-13-29-43(42)49(50)41-27-17-25-39(33-41)36-20-8-4-9-21-36/h3-34H,1-2H3
InChIKeyKVOMCCWVXDLNQT-UHFFFAOYSA-N
MW674.89 g/mol
LogP14.63
Rot. Bonds5

About 8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene

8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene (PubChem CID 140792291) has the molecular formula C53H38 and a molecular weight of 674.89 g/mol. Its IUPAC name is 8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene.

Molecular Properties

Compound Name8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene
PubChem CID140792291
Molecular FormulaC53H38
Molecular Weight674.89 g/mol
Exact Mass674.30
IUPAC Name8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene
SMILESCC1(C)c2ccccc2-c2c1c(-c1cccc(-c3ccccc3)c1)cc1c(-c3ccccc3)c3ccccc3c(-c3cccc(-c4ccccc4)c3)c21
InChIInChI=1S/C53H38/c1-53(2)47-31-15-14-30-44(47)51-50-46(34-45(52(51)53)40-26-16-24-38(32-40)35-18-6-3-7-19-35)48(37-22-10-5-11-23-37)42-28-12-13-29-43(42)49(50)41-27-17-25-39(33-41)36-20-8-4-9-21-36/h3-34H,1-2H3
InChIKeyKVOMCCWVXDLNQT-UHFFFAOYSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.89
LogP ≤ 514.63
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

7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
CID 158811185
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
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene
CID 159679931
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
3,3,24,24-tetramethyl-6,21-bis[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59181616
10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 143953159
2-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 165151926
7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
CID 122427509
3,3-dimethyl-22-[3-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 130185973

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene?
The IUPAC name of 8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene (CID 140792291) is 8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene.
What is the SMILES notation for 8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene?
The canonical SMILES for 8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene is CC1(C)c2ccccc2-c2c1c(-c1cccc(-c3ccccc3)c1)cc1c(-c3ccccc3)c3ccccc3c(-c3cccc(-c4ccccc4)c3)c21.
What is the InChIKey of 8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene?
The InChIKey is KVOMCCWVXDLNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38/c1-53(2)47-31-15-14-30-44(47)51-50-46(34-45(52(51)53)40-26-16-24-38(32-40)35-18-6-3-7-19-35)48(37-22-10-5-11-23-37)42-28-12-13-29-43(42)49(50)41-27-17-25-39(33-41)36-20-8-4-9-21-36/h3-34H,1-2H3.
What are the key properties of 8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene?
8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene has a molecular weight of 674.89 g/mol, XLogP of 14.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene is sourced from PubChem (CID 140792291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).