1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene

C63H48 — CID 161100523

IUPAC1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene
SMILESCC1(C)c2ccc(-c3cccc4c3C(C)(C)c3c-4ccc4c3-c3ccccc3C4(C)C)cc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc21
InChIInChI=1S/C63H48/c1-61(2)52-28-14-13-24-50(52)58-54(61)34-32-49-48-27-16-25-41(59(48)63(5,6)60(49)58)38-30-33-53-51(35-38)42-31-29-39(36-55(42)62(53,3)4)56-44-20-9-11-22-46(44)57(47-23-12-10-21-45(47)56)43-26-15-18-37-17-7-8-19-40(37)43/h7-36H,1-6H3
InChIKeyJCRDYCHANMJAOC-UHFFFAOYSA-N
MW805.08 g/mol
LogP17.07
Rot. Bonds3

About 1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene

1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene (PubChem CID 161100523) has the molecular formula C63H48 and a molecular weight of 805.08 g/mol. Its IUPAC name is 1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene.

Molecular Properties

Compound Name1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene
PubChem CID161100523
Molecular FormulaC63H48
Molecular Weight805.08 g/mol
Exact Mass804.38
IUPAC Name1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene
SMILESCC1(C)c2ccc(-c3cccc4c3C(C)(C)c3c-4ccc4c3-c3ccccc3C4(C)C)cc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc21
InChIInChI=1S/C63H48/c1-61(2)52-28-14-13-24-50(52)58-54(61)34-32-49-48-27-16-25-41(59(48)63(5,6)60(49)58)38-30-33-53-51(35-38)42-31-29-39(36-55(42)62(53,3)4)56-44-20-9-11-22-46(44)57(47-23-12-10-21-45(47)56)43-26-15-18-37-17-7-8-19-40(37)43/h7-36H,1-6H3
InChIKeyJCRDYCHANMJAOC-UHFFFAOYSA-N
XLogP17.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.08
LogP ≤ 517.07
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

4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 159232925
3-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-11,11-dimethylbenzo[b]fluorene
CID 159143785
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239
10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene
CID 140724174
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene
CID 160542211
9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 171743014
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419
8,8,13,13-tetramethyl-5,16-bis(10-naphthalen-1-ylanthracen-9-yl)hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59182479
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175465
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196314

Frequently Asked Questions

What is the IUPAC name of 1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene?
The IUPAC name of 1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene (CID 161100523) is 1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene.
What is the SMILES notation for 1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene?
The canonical SMILES for 1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene is CC1(C)c2ccc(-c3cccc4c3C(C)(C)c3c-4ccc4c3-c3ccccc3C4(C)C)cc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc21.
What is the InChIKey of 1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene?
The InChIKey is JCRDYCHANMJAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H48/c1-61(2)52-28-14-13-24-50(52)58-54(61)34-32-49-48-27-16-25-41(59(48)63(5,6)60(49)58)38-30-33-53-51(35-38)42-31-29-39(36-55(42)62(53,3)4)56-44-20-9-11-22-46(44)57(47-23-12-10-21-45(47)56)43-26-15-18-37-17-7-8-19-40(37)43/h7-36H,1-6H3.
What are the key properties of 1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene?
1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene has a molecular weight of 805.08 g/mol, XLogP of 17.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene is sourced from PubChem (CID 161100523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).