6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene

C62H44 — CID 58511770

IUPAC6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5c(-c5ccc6c(c5)-c5ccccc5C6(C)C)cc4c4ccccc34)ccc21
InChIInChI=1S/C62H44/c1-61(2)57-19-11-9-17-48(57)55-33-41(25-29-59(55)61)50-35-54-47-28-24-39(38-23-27-44-40(31-38)22-21-37-13-5-6-14-43(37)44)32-52(47)51(36-53(54)46-16-8-7-15-45(46)50)42-26-30-60-56(34-42)49-18-10-12-20-58(49)62(60,3)4/h5-36H,1-4H3
InChIKeyWPXZKPVQFPXERJ-UHFFFAOYSA-N
MW789.03 g/mol
LogP17.07
Rot. Bonds3

About 6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene

6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene (PubChem CID 58511770) has the molecular formula C62H44 and a molecular weight of 789.03 g/mol. Its IUPAC name is 6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene.

Molecular Properties

Compound Name6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene
PubChem CID58511770
Molecular FormulaC62H44
Molecular Weight789.03 g/mol
Exact Mass788.34
IUPAC Name6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5c(-c5ccc6c(c5)-c5ccccc5C6(C)C)cc4c4ccccc34)ccc21
InChIInChI=1S/C62H44/c1-61(2)57-19-11-9-17-48(57)55-33-41(25-29-59(55)61)50-35-54-47-28-24-39(38-23-27-44-40(31-38)22-21-37-13-5-6-14-43(37)44)32-52(47)51(36-53(54)46-16-8-7-15-45(46)50)42-26-30-60-56(34-42)49-18-10-12-20-58(49)62(60,3)4/h5-36H,1-4H3
InChIKeyWPXZKPVQFPXERJ-UHFFFAOYSA-N
XLogP17.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.03
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene 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

6,12-bis(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylchrysene
CID 58511674
17,17-dimethyl-7-(6-phenanthren-2-ylnaphthalen-2-yl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene
CID 123522129
3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-2-ylchrysene
CID 58511730
3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]chrysene
CID 123737415
6,12-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylchrysene
CID 58511709
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
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
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 59195515
3-(9,9-dimethyl-7-phenanthren-2-ylfluoren-2-yl)chrysene
CID 123538339
9-[4-(9,9-dimethylfluoren-3-yl)phenyl]-10-naphthalen-1-ylanthracene;9-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-3-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 164955701
2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene
CID 58511683

Frequently Asked Questions

What is the IUPAC name of 6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene?
The IUPAC name of 6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene (CID 58511770) is 6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene.
What is the SMILES notation for 6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene?
The canonical SMILES for 6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene is CC1(C)c2ccccc2-c2cc(-c3cc4c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5c(-c5ccc6c(c5)-c5ccccc5C6(C)C)cc4c4ccccc34)ccc21.
What is the InChIKey of 6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene?
The InChIKey is WPXZKPVQFPXERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44/c1-61(2)57-19-11-9-17-48(57)55-33-41(25-29-59(55)61)50-35-54-47-28-24-39(38-23-27-44-40(31-38)22-21-37-13-5-6-14-43(37)44)32-52(47)51(36-53(54)46-16-8-7-15-45(46)50)42-26-30-60-56(34-42)49-18-10-12-20-58(49)62(60,3)4/h5-36H,1-4H3.
What are the key properties of 6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene?
6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene has a molecular weight of 789.03 g/mol, XLogP of 17.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-bis(9,9-dimethylfluoren-3-yl)-2-phenanthren-2-ylchrysene is sourced from PubChem (CID 58511770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).