1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene

C50H34 — CID 143920877

IUPAC1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5c(-c6ccc(-c7cccc8c7Cc7ccccc7-8)cc6)ccc6ccc3c4c65)cc21
InChIInChI=1S/C50H34/c1-50(2)46-13-6-5-10-41(46)42-25-22-35(29-47(42)50)39-24-19-33-20-26-43-38(23-18-32-21-27-44(39)49(33)48(32)43)31-16-14-30(15-17-31)36-11-7-12-40-37-9-4-3-8-34(37)28-45(36)40/h3-27,29H,28H2,1-2H3
InChIKeyCQVRSAFLSBGESO-UHFFFAOYSA-N
MW634.82 g/mol
LogP13.46
Rot. Bonds3

About 1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene

1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene (PubChem CID 143920877) has the molecular formula C50H34 and a molecular weight of 634.82 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene.

Molecular Properties

Compound Name1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene
PubChem CID143920877
Molecular FormulaC50H34
Molecular Weight634.82 g/mol
Exact Mass634.27
IUPAC Name1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5c(-c6ccc(-c7cccc8c7Cc7ccccc7-8)cc6)ccc6ccc3c4c65)cc21
InChIInChI=1S/C50H34/c1-50(2)46-13-6-5-10-41(46)42-25-22-35(29-47(42)50)39-24-19-33-20-26-43-38(23-18-32-21-27-44(39)49(33)48(32)43)31-16-14-30(15-17-31)36-11-7-12-40-37-9-4-3-8-34(37)28-45(36)40/h3-27,29H,28H2,1-2H3
InChIKeyCQVRSAFLSBGESO-UHFFFAOYSA-N
XLogP13.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.82
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene 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

1-[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 123435588
6,6,12,12-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene
CID 59390161
3-(9,9-dimethylfluoren-2-yl)-1,6-diphenylpyrene
CID 123577752
1-[7-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)-9H-fluoren-2-yl]pyrene
CID 143594233
6,6,12,12-tetramethyl-2-(6-naphthalen-2-ylpyren-1-yl)indeno[1,2-b]fluorene
CID 59390153
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine
CID 118685410
3-[7-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-yl]benzo[e]pyrene
CID 123750058
1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene
CID 156656915
7-(9H-fluoren-1-yl)-N-[7-(9H-fluoren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 145298640
2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 118685337
2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 161494558
1-[9,9-dimethyl-7-(4-pyren-1-ylphenyl)fluoren-2-yl]-6-phenylpyrene
CID 156656858

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene?
The IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene (CID 143920877) is 1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene.
What is the SMILES notation for 1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene?
The canonical SMILES for 1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene is CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5c(-c6ccc(-c7cccc8c7Cc7ccccc7-8)cc6)ccc6ccc3c4c65)cc21.
What is the InChIKey of 1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene?
The InChIKey is CQVRSAFLSBGESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34/c1-50(2)46-13-6-5-10-41(46)42-25-22-35(29-47(42)50)39-24-19-33-20-26-43-38(23-18-32-21-27-44(39)49(33)48(32)43)31-16-14-30(15-17-31)36-11-7-12-40-37-9-4-3-8-34(37)28-45(36)40/h3-27,29H,28H2,1-2H3.
What are the key properties of 1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene?
1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene has a molecular weight of 634.82 g/mol, XLogP of 13.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene is sourced from PubChem (CID 143920877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).