9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene

C44H30 — CID 153299320

IUPAC9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene
SMILESCC#CC1(c2ccc(-c3ccc(C4(C#CC)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C44H30/c1-3-29-43(39-17-9-5-13-35(39)36-14-6-10-18-40(36)43)33-25-21-31(22-26-33)32-23-27-34(28-24-32)44(30-4-2)41-19-11-7-15-37(41)38-16-8-12-20-42(38)44/h5-28H,1-2H3
InChIKeyZNBHXURPVLXULY-UHFFFAOYSA-N
MW558.72 g/mol
LogP10.03
Rot. Bonds3

About 9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene

9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene (PubChem CID 153299320) has the molecular formula C44H30 and a molecular weight of 558.72 g/mol. Its IUPAC name is 9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene.

Molecular Properties

Compound Name9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene
PubChem CID153299320
Molecular FormulaC44H30
Molecular Weight558.72 g/mol
Exact Mass558.23
IUPAC Name9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene
SMILESCC#CC1(c2ccc(-c3ccc(C4(C#CC)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C44H30/c1-3-29-43(39-17-9-5-13-35(39)36-14-6-10-18-40(36)43)33-25-21-31(22-26-33)32-23-27-34(28-24-32)44(30-4-2)41-19-11-7-15-37(41)38-16-8-12-20-42(38)44/h5-28H,1-2H3
InChIKeyZNBHXURPVLXULY-UHFFFAOYSA-N
XLogP10.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.72
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene 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

10-phenyl-10-prop-1-ynyl-9H-anthracene
CID 153435981
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
9-(3-methoxyprop-1-ynyl)-9-phenylfluorene
CID 153435964
4-[9-(2-phenylethynyl)fluoren-9-yl]-N,N-bis[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]aniline
CID 146504426
9-(2-phenylethynyl)-9-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenoxy]phenyl]fluorene
CID 153299284
5-(2-phenylethynyl)-5-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]indeno[1,2-c]pyridine
CID 153468051
N,3-diphenyl-N-[3-[9-phenyl-9-(2-phenylethynyl)fluoren-2-yl]phenyl]aniline
CID 167217938
9-but-2-ynylfluoren-9-ol
CID 155470796
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
8-hydroxy-8-prop-1-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14813467
3,9,9-triphenylfluorene
CID 140844354
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520

Frequently Asked Questions

What is the IUPAC name of 9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene?
The IUPAC name of 9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene (CID 153299320) is 9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene.
What is the SMILES notation for 9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene?
The canonical SMILES for 9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene is CC#CC1(c2ccc(-c3ccc(C4(C#CC)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene?
The InChIKey is ZNBHXURPVLXULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30/c1-3-29-43(39-17-9-5-13-35(39)36-14-6-10-18-40(36)43)33-25-21-31(22-26-33)32-23-27-34(28-24-32)44(30-4-2)41-19-11-7-15-37(41)38-16-8-12-20-42(38)44/h5-28H,1-2H3.
What are the key properties of 9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene?
9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene has a molecular weight of 558.72 g/mol, XLogP of 10.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene is sourced from PubChem (CID 153299320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).