2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine

C32H31Br2N — CID 166511751

IUPAC2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine
SMILESCC(C)(C)c1ccc2c(c1)C(c1cccc(Br)c1)(c1cccc(Br)n1)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C32H31Br2N/c1-30(2,3)20-13-15-24-25-16-14-21(31(4,5)6)19-27(25)32(26(24)18-20,22-9-7-10-23(33)17-22)28-11-8-12-29(34)35-28/h7-19H,1-6H3
InChIKeyCWBXPDSJZPDVOM-UHFFFAOYSA-N
MW589.42 g/mol
LogP9.56
Rot. Bonds2

About 2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine

2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine (PubChem CID 166511751) has the molecular formula C32H31Br2N and a molecular weight of 589.42 g/mol. Its IUPAC name is 2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine
PubChem CID166511751
Molecular FormulaC32H31Br2N
Molecular Weight589.42 g/mol
Exact Mass587.08
IUPAC Name2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine
SMILESCC(C)(C)c1ccc2c(c1)C(c1cccc(Br)c1)(c1cccc(Br)n1)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C32H31Br2N/c1-30(2,3)20-13-15-24-25-16-14-21(31(4,5)6)19-27(25)32(26(24)18-20,22-9-7-10-23(33)17-22)28-11-8-12-29(34)35-28/h7-19H,1-6H3
InChIKeyCWBXPDSJZPDVOM-UHFFFAOYSA-N
XLogP9.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.42
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine
CID 140560446
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 153288141
2-bromo-6-[14-(6-bromo-2-pyridinyl)-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl]pyridine
CID 89409708
2-[6-[9-(3-benzo[g]quinoxalin-3-ylphenyl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol
CID 166511841
2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene]
CID 170180910
2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 122218757
2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol
CID 161415824
2,7-dibromo-9,9-bis(3-methylphenyl)fluorene
CID 58371139
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
CID 88907804
CID 88907804
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];11'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];11'-bromo-17'-methylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene];17'-bromo-10'-methylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]
CID 158023703
2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 59718361

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine?
The IUPAC name of 2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine (CID 166511751) is 2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine.
What is the SMILES notation for 2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine?
The canonical SMILES for 2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine is CC(C)(C)c1ccc2c(c1)C(c1cccc(Br)c1)(c1cccc(Br)n1)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine?
The InChIKey is CWBXPDSJZPDVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31Br2N/c1-30(2,3)20-13-15-24-25-16-14-21(31(4,5)6)19-27(25)32(26(24)18-20,22-9-7-10-23(33)17-22)28-11-8-12-29(34)35-28/h7-19H,1-6H3.
What are the key properties of 2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine?
2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine has a molecular weight of 589.42 g/mol, XLogP of 9.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine is sourced from PubChem (CID 166511751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).