6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene

C53H36 — CID 58569105

IUPAC6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene
SMILESCC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cccc4c(-c5cc6c7ccccc7ccc6c6ccccc56)cccc34)cc21
InChIInChI=1S/C53H36/c1-53(2)51-30-35(39-19-9-14-33-12-3-5-15-37(33)39)25-28-47(51)48-29-26-36(31-52(48)53)40-20-10-22-43-41(40)21-11-23-45(43)50-32-49-38-16-6-4-13-34(38)24-27-46(49)42-17-7-8-18-44(42)50/h3-32H,1-2H3
InChIKeyCXNPRSKRAKHIOU-UHFFFAOYSA-N
MW672.87 g/mol
LogP14.76
Rot. Bonds3

About 6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene

6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene (PubChem CID 58569105) has the molecular formula C53H36 and a molecular weight of 672.87 g/mol. Its IUPAC name is 6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene.

Molecular Properties

Compound Name6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene
PubChem CID58569105
Molecular FormulaC53H36
Molecular Weight672.87 g/mol
Exact Mass672.28
IUPAC Name6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene
SMILESCC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cccc4c(-c5cc6c7ccccc7ccc6c6ccccc56)cccc34)cc21
InChIInChI=1S/C53H36/c1-53(2)51-30-35(39-19-9-14-33-12-3-5-15-37(33)39)25-28-47(51)48-29-26-36(31-52(48)53)40-20-10-22-43-41(40)21-11-23-45(43)50-32-49-38-16-6-4-13-34(38)24-27-46(49)42-17-7-8-18-44(42)50/h3-32H,1-2H3
InChIKeyCXNPRSKRAKHIOU-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.87
LogP ≤ 514.76
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

3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-1-ylchrysene
CID 58511736
6,12-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylchrysene
CID 58511709
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
5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]benzo[c]phenanthrene
CID 58569538
7-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 58569114
6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene
CID 58569084
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
CID 58569211
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
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
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735

Frequently Asked Questions

What is the IUPAC name of 6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene?
The IUPAC name of 6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene (CID 58569105) is 6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene.
What is the SMILES notation for 6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene?
The canonical SMILES for 6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene is CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cccc4c(-c5cc6c7ccccc7ccc6c6ccccc56)cccc34)cc21.
What is the InChIKey of 6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene?
The InChIKey is CXNPRSKRAKHIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36/c1-53(2)51-30-35(39-19-9-14-33-12-3-5-15-37(33)39)25-28-47(51)48-29-26-36(31-52(48)53)40-20-10-22-43-41(40)21-11-23-45(43)50-32-49-38-16-6-4-13-34(38)24-27-46(49)42-17-7-8-18-44(42)50/h3-32H,1-2H3.
What are the key properties of 6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene?
6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene has a molecular weight of 672.87 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 6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene is sourced from PubChem (CID 58569105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).