6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene

C59H40 — CID 58569584

IUPAC6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene
SMILESCC1(C)c2cc(-c3cc(-c4ccc5ccccc5c4)cc(-c4cc5c6ccccc6ccc5c5ccccc45)c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C59H40/c1-59(2)57-34-44(42-21-19-37-11-3-5-14-40(37)29-42)24-27-53(57)54-28-25-45(35-58(54)59)47-31-46(43-22-20-38-12-4-6-15-41(38)30-43)32-48(33-47)55-36-56-49-16-8-7-13-39(49)23-26-52(56)50-17-9-10-18-51(50)55/h3-36H,1-2H3
InChIKeyMIQOKVLEQBGMLB-UHFFFAOYSA-N
MW748.97 g/mol
LogP16.43
Rot. Bonds4

About 6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene

6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene (PubChem CID 58569584) has the molecular formula C59H40 and a molecular weight of 748.97 g/mol. Its IUPAC name is 6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene.

Molecular Properties

Compound Name6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene
PubChem CID58569584
Molecular FormulaC59H40
Molecular Weight748.97 g/mol
Exact Mass748.31
IUPAC Name6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene
SMILESCC1(C)c2cc(-c3cc(-c4ccc5ccccc5c4)cc(-c4cc5c6ccccc6ccc5c5ccccc45)c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C59H40/c1-59(2)57-34-44(42-21-19-37-11-3-5-14-40(37)29-42)24-27-53(57)54-28-25-45(35-58(54)59)47-31-46(43-22-20-38-12-4-6-15-41(38)30-43)32-48(33-47)55-36-56-49-16-8-7-13-39(49)23-26-52(56)50-17-9-10-18-51(50)55/h3-36H,1-2H3
InChIKeyMIQOKVLEQBGMLB-UHFFFAOYSA-N
XLogP16.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.97
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]phenanthrene
CID 58569461
3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-2-ylchrysene
CID 58511730
6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene
CID 58569084
25-chrysen-6-yl-22,22,32,32-tetramethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,23(28),24,26,29-pentadecaene
CID 123959773
3-(9,9-dimethyl-7-phenanthren-2-ylfluoren-2-yl)chrysene
CID 123538339
9-[7-[9,9-dimethyl-7-(7-phenanthren-9-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]phenanthrene
CID 58569088
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene
CID 58569367
2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
5-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)benzo[c]phenanthrene;21-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)picene;21-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 159940441
3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]chrysene
CID 123737415
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063

Frequently Asked Questions

What is the IUPAC name of 6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene?
The IUPAC name of 6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene (CID 58569584) is 6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene.
What is the SMILES notation for 6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene?
The canonical SMILES for 6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene is CC1(C)c2cc(-c3cc(-c4ccc5ccccc5c4)cc(-c4cc5c6ccccc6ccc5c5ccccc45)c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.
What is the InChIKey of 6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene?
The InChIKey is MIQOKVLEQBGMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40/c1-59(2)57-34-44(42-21-19-37-11-3-5-14-40(37)29-42)24-27-53(57)54-28-25-45(35-58(54)59)47-31-46(43-22-20-38-12-4-6-15-41(38)30-43)32-48(33-47)55-36-56-49-16-8-7-13-39(49)23-26-52(56)50-17-9-10-18-51(50)55/h3-36H,1-2H3.
What are the key properties of 6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene?
6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene has a molecular weight of 748.97 g/mol, XLogP of 16.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene is sourced from PubChem (CID 58569584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).