7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline

C28H18ClN — CID 153407539

IUPAC7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline
SMILESClc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccc2ccncc2c1
InChIInChI=1S/C28H18ClN/c29-26-12-6-11-25-27(26)23-9-4-5-10-24(23)28(25,21-7-2-1-3-8-21)22-14-13-19-15-16-30-18-20(19)17-22/h1-18H
InChIKeyRLRUQBCTGGPPEI-UHFFFAOYSA-N
MW403.91 g/mol
LogP7.25
Rot. Bonds2

About 7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline

7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline (PubChem CID 153407539) has the molecular formula C28H18ClN and a molecular weight of 403.91 g/mol. Its IUPAC name is 7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline.

Molecular Properties

Compound Name7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline
PubChem CID153407539
Molecular FormulaC28H18ClN
Molecular Weight403.91 g/mol
Exact Mass403.11
IUPAC Name7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline
SMILESClc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccc2ccncc2c1
InChIInChI=1S/C28H18ClN/c29-26-12-6-11-25-27(26)23-9-4-5-10-24(23)28(25,21-7-2-1-3-8-21)22-14-13-19-15-16-30-18-20(19)17-22/h1-18H
InChIKeyRLRUQBCTGGPPEI-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

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Related Compounds

4-(5-chloro-7-phenylbenzo[c]fluoren-7-yl)pyridine
CID 153406376
3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine
CID 153406387
9-(4-chlorophenyl)-4-naphthalen-2-yl-9-phenylfluorene
CID 176760045
9-(3-chlorophenyl)-4,9-diphenylfluorene
CID 176760005
4-(9-phenylfluoren-9-yl)pyridine
CID 130393979
4-[3-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785729
2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine
CID 154995544
6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)-9,9-diphenylfluoren-1-yl]isoquinoline
CID 142453484
2-(4-chloro-9-phenylfluoren-9-yl)-3-phenylpyrido[2,3-b]pyrazine
CID 153407529
9-[3-(3-chlorophenyl)phenyl]-9-naphthalen-2-ylfluorene
CID 169292933
4'-bromo-4-chloro-9,9'-spirobi[fluorene]
CID 139434314
2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine
CID 142385241

Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline?
The IUPAC name of 7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline (CID 153407539) is 7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline.
What is the SMILES notation for 7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline?
The canonical SMILES for 7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline is Clc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccc2ccncc2c1.
What is the InChIKey of 7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline?
The InChIKey is RLRUQBCTGGPPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClN/c29-26-12-6-11-25-27(26)23-9-4-5-10-24(23)28(25,21-7-2-1-3-8-21)22-14-13-19-15-16-30-18-20(19)17-22/h1-18H.
What are the key properties of 7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline?
7-(4-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 7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline is sourced from PubChem (CID 153407539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).