3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene

C59H38 — CID 59194702

IUPAC3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)c4ccc(-c5ccc6ccccc6c5)cc34)cccc21
InChIInChI=1S/C59H38/c1-59(2)52-25-8-7-19-49(52)58-50(24-12-26-53(58)59)57-43-18-6-5-17-42(43)56(48-30-29-39(34-51(48)57)38-28-27-35-13-3-4-14-37(35)33-38)47-32-31-46-41-21-10-16-36-15-9-20-40(54(36)41)44-22-11-23-45(47)55(44)46/h3-34H,1-2H3
InChIKeyZKVDQTOFZGNKCL-UHFFFAOYSA-N
MW746.95 g/mol
LogP16.50
Rot. Bonds3

About 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene

3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene (PubChem CID 59194702) has the molecular formula C59H38 and a molecular weight of 746.95 g/mol. Its IUPAC name is 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene.

Molecular Properties

Compound Name3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene
PubChem CID59194702
Molecular FormulaC59H38
Molecular Weight746.95 g/mol
Exact Mass746.30
IUPAC Name3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)c4ccc(-c5ccc6ccccc6c5)cc34)cccc21
InChIInChI=1S/C59H38/c1-59(2)52-25-8-7-19-49(52)58-50(24-12-26-53(58)59)57-43-18-6-5-17-42(43)56(48-30-29-39(34-51(48)57)38-28-27-35-13-3-4-14-37(35)33-38)47-32-31-46-41-21-10-16-36-15-9-20-40(54(36)41)44-22-11-23-45(47)55(44)46/h3-34H,1-2H3
InChIKeyZKVDQTOFZGNKCL-UHFFFAOYSA-N
XLogP16.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.95
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-2-ylanthracene
CID 59195049
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
10,10-dimethyl-14-naphthalen-2-yl-21-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58175285
9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 59196370
9-(9,9-dimethylfluoren-4-yl)-10-(4-fluorophenyl)-2-naphthalen-2-ylanthracene
CID 59195494
14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7,14,21-trinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 158473087
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 59194727
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene
CID 59195164
2'-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 59196344
5-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]-10-methylphenazine
CID 59195181
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59220754
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053

Frequently Asked Questions

What is the IUPAC name of 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene?
The IUPAC name of 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene (CID 59194702) is 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene.
What is the SMILES notation for 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene?
The canonical SMILES for 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene is CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)c4ccc(-c5ccc6ccccc6c5)cc34)cccc21.
What is the InChIKey of 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene?
The InChIKey is ZKVDQTOFZGNKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38/c1-59(2)52-25-8-7-19-49(52)58-50(24-12-26-53(58)59)57-43-18-6-5-17-42(43)56(48-30-29-39(34-51(48)57)38-28-27-35-13-3-4-14-37(35)33-38)47-32-31-46-41-21-10-16-36-15-9-20-40(54(36)41)44-22-11-23-45(47)55(44)46/h3-34H,1-2H3.
What are the key properties of 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene?
3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene has a molecular weight of 746.95 g/mol, XLogP of 16.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]perylene is sourced from PubChem (CID 59194702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).