10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene

C54H40 — CID 140710765

IUPAC10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c4ccccc4c2)ccc1-3
InChIInChI=1S/C54H40/c1-53(2)49-16-10-9-15-44(49)47-31-48-45-24-23-39(30-50(45)54(3,4)52(48)32-51(47)53)42-28-40-13-7-8-14-43(40)46(29-42)41-22-21-37-26-36(19-20-38(37)27-41)35-18-17-33-11-5-6-12-34(33)25-35/h5-32H,1-4H3
InChIKeyIZLCZNDOTGPOAW-UHFFFAOYSA-N
MW688.91 g/mol
LogP14.76
Rot. Bonds3

About 10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene

10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene (PubChem CID 140710765) has the molecular formula C54H40 and a molecular weight of 688.91 g/mol. Its IUPAC name is 10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene.

Molecular Properties

Compound Name10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene
PubChem CID140710765
Molecular FormulaC54H40
Molecular Weight688.91 g/mol
Exact Mass688.31
IUPAC Name10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c4ccccc4c2)ccc1-3
InChIInChI=1S/C54H40/c1-53(2)49-16-10-9-15-44(49)47-31-48-45-24-23-39(30-50(45)54(3,4)52(48)32-51(47)53)42-28-40-13-7-8-14-43(40)46(29-42)41-22-21-37-26-36(19-20-38(37)27-41)35-18-17-33-11-5-6-12-34(33)25-35/h5-32H,1-4H3
InChIKeyIZLCZNDOTGPOAW-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

Analyze 10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-c]fluorene;7,7,12,12-tetramethyl-9-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-c]fluorene;9,9,14,14-tetramethyl-6-(6-naphthalen-2-ylnaphthalen-2-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 162101596
3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-2-ylchrysene
CID 58511730
9-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-15-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151602
11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene
CID 140710807
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-4-naphthalen-2-ylfluorene
CID 123439239
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-naphthalen-2-ylbenzo[c]phenanthrene
CID 59282421
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 58569156

Frequently Asked Questions

What is the IUPAC name of 10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene?
The IUPAC name of 10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene (CID 140710765) is 10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene.
What is the SMILES notation for 10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene?
The canonical SMILES for 10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene is CC1(C)c2ccccc2-c2cc3c(cc21)C(C)(C)c1cc(-c2cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c4ccccc4c2)ccc1-3.
What is the InChIKey of 10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene?
The InChIKey is IZLCZNDOTGPOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40/c1-53(2)49-16-10-9-15-44(49)47-31-48-45-24-23-39(30-50(45)54(3,4)52(48)32-51(47)53)42-28-40-13-7-8-14-43(40)46(29-42)41-22-21-37-26-36(19-20-38(37)27-41)35-18-17-33-11-5-6-12-34(33)25-35/h5-32H,1-4H3.
What are the key properties of 10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene?
10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-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 10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene is sourced from PubChem (CID 140710765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).