5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol

C48H30FN3O — CID 177285213

IUPAC5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol
SMILESOc1cc(-n2c3ccccc3c3ccccc32)ccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cccc(-c3ccccc3F)c21
InChIInChI=1S/C48H30FN3O/c49-40-19-6-1-12-32(40)37-17-11-18-38-39-28-30(50-41-20-7-2-13-33(41)34-14-3-8-21-42(34)50)24-26-45(39)52(48(37)38)46-27-25-31(29-47(46)53)51-43-22-9-4-15-35(43)36-16-5-10-23-44(36)51/h1-29,53H
InChIKeyGHONUVSJBLPRKQ-UHFFFAOYSA-N
MW683.79 g/mol
LogP12.49
Rot. Bonds4

About 5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol

5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol (PubChem CID 177285213) has the molecular formula C48H30FN3O and a molecular weight of 683.79 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol.

Molecular Properties

Compound Name5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol
PubChem CID177285213
Molecular FormulaC48H30FN3O
Molecular Weight683.79 g/mol
Exact Mass683.24
IUPAC Name5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol
SMILESOc1cc(-n2c3ccccc3c3ccccc32)ccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cccc(-c3ccccc3F)c21
InChIInChI=1S/C48H30FN3O/c49-40-19-6-1-12-32(40)37-17-11-18-38-39-28-30(50-41-20-7-2-13-33(41)34-14-3-8-21-42(34)50)24-26-45(39)52(48(37)38)46-27-25-31(29-47(46)53)51-43-22-9-4-15-35(43)36-16-5-10-23-44(36)51/h1-29,53H
InChIKeyGHONUVSJBLPRKQ-UHFFFAOYSA-N
XLogP12.49
TPSA35.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.79
LogP ≤ 512.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene
CID 177285260
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
9-(9-phenylcarbazol-3-yl)-1-(2-phenylphenyl)carbazol-2-ol
CID 122632431
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
18-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 121386081
4-(3-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118422803
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138566204
6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170365229
9-[3-(2,3-difluorophenyl)phenyl]carbazole
CID 122431739
33-carbazol-9-yl-1,13,20-triazadecacyclo[18.16.2.12,6.07,12.014,19.021,26.027,38.030,37.031,36.013,39]nonatriaconta-2,4,6(39),7,9,11,14,16,18,21,23,25,27(38),28,30(37),31(36),32,34-octadecaene
CID 162480548
16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene
CID 168811683

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol?
The IUPAC name of 5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol (CID 177285213) is 5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol.
What is the SMILES notation for 5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol?
The canonical SMILES for 5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol is Oc1cc(-n2c3ccccc3c3ccccc32)ccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cccc(-c3ccccc3F)c21.
What is the InChIKey of 5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol?
The InChIKey is GHONUVSJBLPRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30FN3O/c49-40-19-6-1-12-32(40)37-17-11-18-38-39-28-30(50-41-20-7-2-13-33(41)34-14-3-8-21-42(34)50)24-26-45(39)52(48(37)38)46-27-25-31(29-47(46)53)51-43-22-9-4-15-35(43)36-16-5-10-23-44(36)51/h1-29,53H.
What are the key properties of 5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol?
5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol has a molecular weight of 683.79 g/mol, XLogP of 12.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2-[6-carbazol-9-yl-1-(2-fluorophenyl)carbazol-9-yl]phenol is sourced from PubChem (CID 177285213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).