3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline

C28H18ClN — CID 153407538

IUPAC3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline
SMILESClc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1cc2ccccc2cn1
InChIInChI=1S/C28H18ClN/c29-22-14-15-26-24(17-22)23-12-6-7-13-25(23)28(26,21-10-2-1-3-11-21)27-16-19-8-4-5-9-20(19)18-30-27/h1-18H
InChIKeyQXBFEWQFQWXRHT-UHFFFAOYSA-N
MW403.91 g/mol
LogP7.25
Rot. Bonds2

About 3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline

3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline (PubChem CID 153407538) has the molecular formula C28H18ClN and a molecular weight of 403.91 g/mol. Its IUPAC name is 3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline.

Molecular Properties

Compound Name3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline
PubChem CID153407538
Molecular FormulaC28H18ClN
Molecular Weight403.91 g/mol
Exact Mass403.11
IUPAC Name3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline
SMILESClc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1cc2ccccc2cn1
InChIInChI=1S/C28H18ClN/c29-22-14-15-26-24(17-22)23-12-6-7-13-25(23)28(26,21-10-2-1-3-11-21)27-16-19-8-4-5-9-20(19)18-30-27/h1-18H
InChIKeyQXBFEWQFQWXRHT-UHFFFAOYSA-N
XLogP7.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline 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

3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
2-(2-chloro-9-phenylfluoren-9-yl)quinoline
CID 153407496
2-(3-chloro-9-phenylfluoren-9-yl)-3-phenylquinoxaline
CID 153407493
2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine
CID 153406391
9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene
CID 139546670
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260790
2-(9,9-diphenylfluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149082665
2-(9-phenylfluoren-9-yl)pyrazine
CID 177449195
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
CID 155407262
CID 102192841
CID 102192841
3-(2-chloro-9-phenylfluoren-9-yl)-2-phenylpyrazino[2,3-b]pyrazine
CID 153407503
9,9-diphenylfluorene;methane
CID 145331804

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline?
The IUPAC name of 3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline (CID 153407538) is 3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline.
What is the SMILES notation for 3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline?
The canonical SMILES for 3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline is Clc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1cc2ccccc2cn1.
What is the InChIKey of 3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline?
The InChIKey is QXBFEWQFQWXRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClN/c29-22-14-15-26-24(17-22)23-12-6-7-13-25(23)28(26,21-10-2-1-3-11-21)27-16-19-8-4-5-9-20(19)18-30-27/h1-18H.
What are the key properties of 3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline?
3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline has a molecular weight of 403.91 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline is sourced from PubChem (CID 153407538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).