6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene

C53H36 — CID 58569084

IUPAC6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene
SMILESCC1(C)c2cc(-c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)ccc2-c2ccc(-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C53H36/c1-53(2)51-30-36(24-27-46(51)47-28-25-38(31-52(47)53)48-29-37-12-4-6-14-40(37)41-15-7-9-17-43(41)48)33-19-21-35(22-20-33)49-32-50-39-13-5-3-11-34(39)23-26-45(50)42-16-8-10-18-44(42)49/h3-32H,1-2H3
InChIKeyYTICFQORXKHZKN-UHFFFAOYSA-N
MW672.87 g/mol
LogP14.76
Rot. Bonds3

About 6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene

6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene (PubChem CID 58569084) has the molecular formula C53H36 and a molecular weight of 672.87 g/mol. Its IUPAC name is 6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene.

Molecular Properties

Compound Name6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene
PubChem CID58569084
Molecular FormulaC53H36
Molecular Weight672.87 g/mol
Exact Mass672.28
IUPAC Name6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene
SMILESCC1(C)c2cc(-c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)ccc2-c2ccc(-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C53H36/c1-53(2)51-30-36(24-27-46(51)47-28-25-38(31-52(47)53)48-29-37-12-4-6-14-40(37)41-15-7-9-17-43(41)48)33-19-21-35(22-20-33)49-32-50-39-13-5-3-11-34(39)23-26-45(50)42-16-8-10-18-44(42)49/h3-32H,1-2H3
InChIKeyYTICFQORXKHZKN-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'}

Analyze 6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58883838
9-[7-[9,9-dimethyl-7-(7-phenanthren-9-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]phenanthrene
CID 58569088
9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene
CID 58881017
3-(9,9-dimethyl-7-phenanthren-2-ylfluoren-2-yl)chrysene
CID 123538339
6-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-naphthalen-2-ylphenyl]chrysene
CID 58569584
21-(7-benzo[c]phenanthren-6-yl-9,9-dimethylfluoren-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 58569413
6-[5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)naphthalen-1-yl]chrysene
CID 58569105
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
CID 58569211
9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene
CID 143227241
9-[6-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 58569125
3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-2-ylchrysene
CID 58511730

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene?
The IUPAC name of 6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene (CID 58569084) is 6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene.
What is the SMILES notation for 6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene?
The canonical SMILES for 6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene is CC1(C)c2cc(-c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)ccc2-c2ccc(-c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of 6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene?
The InChIKey is YTICFQORXKHZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36/c1-53(2)51-30-36(24-27-46(51)47-28-25-38(31-52(47)53)48-29-37-12-4-6-14-40(37)41-15-7-9-17-43(41)48)33-19-21-35(22-20-33)49-32-50-39-13-5-3-11-34(39)23-26-45(50)42-16-8-10-18-44(42)49/h3-32H,1-2H3.
What are the key properties of 6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene?
6-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]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-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenyl]chrysene is sourced from PubChem (CID 58569084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).