4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene

C58H42 — CID 159232925

IUPAC4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
SMILESCC1(C)c2cc(-c3cccc4c5c(ccc34)C(C)(C)c3ccccc3-5)ccc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc21
InChIInChI=1S/C58H42/c1-57(2)50-26-12-11-22-49(50)56-44-25-14-23-39(40(44)31-32-51(56)57)36-27-29-41-42-30-28-37(34-53(42)58(3,4)52(41)33-36)54-45-18-7-9-20-47(45)55(48-21-10-8-19-46(48)54)43-24-13-16-35-15-5-6-17-38(35)43/h5-34H,1-4H3
InChIKeyIGMGUWCDPOHFMK-UHFFFAOYSA-N
MW738.97 g/mol
LogP15.91
Rot. Bonds3

About 4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene

4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene (PubChem CID 159232925) has the molecular formula C58H42 and a molecular weight of 738.97 g/mol. Its IUPAC name is 4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene.

Molecular Properties

Compound Name4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
PubChem CID159232925
Molecular FormulaC58H42
Molecular Weight738.97 g/mol
Exact Mass738.33
IUPAC Name4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
SMILESCC1(C)c2cc(-c3cccc4c5c(ccc34)C(C)(C)c3ccccc3-5)ccc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc21
InChIInChI=1S/C58H42/c1-57(2)50-26-12-11-22-49(50)56-44-25-14-23-39(40(44)31-32-51(56)57)36-27-29-41-42-30-28-37(34-53(42)58(3,4)52(41)33-36)54-45-18-7-9-20-47(45)55(48-21-10-8-19-46(48)54)43-24-13-16-35-15-5-6-17-38(35)43/h5-34H,1-4H3
InChIKeyIGMGUWCDPOHFMK-UHFFFAOYSA-N
XLogP15.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.97
LogP ≤ 515.91
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

9,9,21,21-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-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196314
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
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
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
9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9,10-dinaphthalen-1-ylanthracene;9-naphthalen-1-yl-10-(3-phenanthren-1-ylphenyl)anthracene
CID 163960045
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419
3-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-11,11-dimethylbenzo[b]fluorene
CID 159143785
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
7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene
CID 162108873

Frequently Asked Questions

What is the IUPAC name of 4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene?
The IUPAC name of 4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene (CID 159232925) is 4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene.
What is the SMILES notation for 4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene?
The canonical SMILES for 4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene is CC1(C)c2cc(-c3cccc4c5c(ccc34)C(C)(C)c3ccccc3-5)ccc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc21.
What is the InChIKey of 4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene?
The InChIKey is IGMGUWCDPOHFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42/c1-57(2)50-26-12-11-22-49(50)56-44-25-14-23-39(40(44)31-32-51(56)57)36-27-29-41-42-30-28-37(34-53(42)58(3,4)52(41)33-36)54-45-18-7-9-20-47(45)55(48-21-10-8-19-46(48)54)43-24-13-16-35-15-5-6-17-38(35)43/h5-34H,1-4H3.
What are the key properties of 4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene?
4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene has a molecular weight of 738.97 g/mol, XLogP of 15.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene is sourced from PubChem (CID 159232925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).