9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene

C35H25Cl — CID 177274779

IUPAC9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(Cl)cccc3-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C35H25Cl/c1-35(2)31-16-8-7-14-27(31)28-19-18-23(21-32(28)35)34-29(15-9-17-33(34)36)30-20-22-10-3-4-11-24(22)25-12-5-6-13-26(25)30/h3-21H,1-2H3
InChIKeyYQAMFXOULNKISQ-UHFFFAOYSA-N
MW481.04 g/mol
LogP10.29
Rot. Bonds2

About 9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene

9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene (PubChem CID 177274779) has the molecular formula C35H25Cl and a molecular weight of 481.04 g/mol. Its IUPAC name is 9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene.

Molecular Properties

Compound Name9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene
PubChem CID177274779
Molecular FormulaC35H25Cl
Molecular Weight481.04 g/mol
Exact Mass480.16
IUPAC Name9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(Cl)cccc3-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C35H25Cl/c1-35(2)31-16-8-7-14-27(31)28-19-18-23(21-32(28)35)34-29(15-9-17-33(34)36)30-20-22-10-3-4-11-24(22)25-12-5-6-13-26(25)30/h3-21H,1-2H3
InChIKeyYQAMFXOULNKISQ-UHFFFAOYSA-N
XLogP10.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.04
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene 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

9-[2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 58569156
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-naphthalen-1-ylphenanthrene
CID 140942184
9-[7-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]phenanthrene
CID 58569626
9-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)phenanthrene
CID 58883838
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
7-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 58569418
9-[3-[9,9-dimethyl-7-(3-phenanthren-9-ylphenyl)fluoren-2-yl]phenyl]phenanthrene
CID 58881017
10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene
CID 140863269
14-(9,9-dimethylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 123741068
3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]chrysene
CID 123737415
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021
1,6-bis(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-ylpyrene
CID 123383419

Frequently Asked Questions

What is the IUPAC name of 9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene?
The IUPAC name of 9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene (CID 177274779) is 9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene.
What is the SMILES notation for 9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene?
The canonical SMILES for 9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene is CC1(C)c2ccccc2-c2ccc(-c3c(Cl)cccc3-c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of 9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene?
The InChIKey is YQAMFXOULNKISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25Cl/c1-35(2)31-16-8-7-14-27(31)28-19-18-23(21-32(28)35)34-29(15-9-17-33(34)36)30-20-22-10-3-4-11-24(22)25-12-5-6-13-26(25)30/h3-21H,1-2H3.
What are the key properties of 9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene?
9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene has a molecular weight of 481.04 g/mol, XLogP of 10.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-chloro-2-(9,9-dimethylfluoren-2-yl)phenyl]phenanthrene is sourced from PubChem (CID 177274779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).