4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]

C34H20BrN — CID 166898406

IUPAC4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
SMILESBrc1cccc2c1-c1ccccc1C21c2ccccc2-c2c(-c3ccccc3)nc3ccccc3c21
InChIInChI=1S/C34H20BrN/c35-28-19-10-18-27-30(28)22-13-4-7-16-25(22)34(27)26-17-8-5-14-23(26)31-32(34)24-15-6-9-20-29(24)36-33(31)21-11-2-1-3-12-21/h1-20H
InChIKeyTWMFVQMGXMDZIT-UHFFFAOYSA-N
MW522.45 g/mol
LogP9.01
Rot. Bonds1

About 4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]

4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] (PubChem CID 166898406) has the molecular formula C34H20BrN and a molecular weight of 522.45 g/mol. Its IUPAC name is 4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline].

Molecular Properties

Compound Name4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
PubChem CID166898406
Molecular FormulaC34H20BrN
Molecular Weight522.45 g/mol
Exact Mass521.08
IUPAC Name4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
SMILESBrc1cccc2c1-c1ccccc1C21c2ccccc2-c2c(-c3ccccc3)nc3ccccc3c21
InChIInChI=1S/C34H20BrN/c35-28-19-10-18-27-30(28)22-13-4-7-16-25(22)34(27)26-17-8-5-14-23(26)31-32(34)24-15-6-9-20-29(24)36-33(31)21-11-2-1-3-12-21/h1-20H
InChIKeyTWMFVQMGXMDZIT-UHFFFAOYSA-N
XLogP9.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.45
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898643
6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 168855290
6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898547
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 168855233
(11R)-6,11-diphenylindeno[1,2-c]quinolin-11-ol
CID 139182041
6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855212
2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898676
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855069
2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898658
7-bromospiro[benzo[a]fluorene-11,9'-fluorene]
CID 134194078
6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855130

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The IUPAC name of 4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] (CID 166898406) is 4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline].
What is the SMILES notation for 4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The canonical SMILES for 4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] is Brc1cccc2c1-c1ccccc1C21c2ccccc2-c2c(-c3ccccc3)nc3ccccc3c21.
What is the InChIKey of 4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The InChIKey is TWMFVQMGXMDZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20BrN/c35-28-19-10-18-27-30(28)22-13-4-7-16-25(22)34(27)26-17-8-5-14-23(26)31-32(34)24-15-6-9-20-29(24)36-33(31)21-11-2-1-3-12-21/h1-20H.
What are the key properties of 4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] has a molecular weight of 522.45 g/mol, XLogP of 9.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline] is sourced from PubChem (CID 166898406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).