7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol

C24H16BrNO7 — CID 170414513

IUPAC7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol
SMILESOc1c(O)c(O)c2c(c1O)c1c(O)c(O)c(Br)c(O)c1n2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H16BrNO7/c25-15-20(29)16-13(18(27)21(15)30)14-17(22(31)24(33)23(32)19(14)28)26(16)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,27-33H
InChIKeyZXFBYONYJUVQHX-UHFFFAOYSA-N
MW510.30 g/mol
LogP5.15
Rot. Bonds2

About 7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol

7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol (PubChem CID 170414513) has the molecular formula C24H16BrNO7 and a molecular weight of 510.30 g/mol. Its IUPAC name is 7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol.

Molecular Properties

Compound Name7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol
PubChem CID170414513
Molecular FormulaC24H16BrNO7
Molecular Weight510.30 g/mol
Exact Mass509.01
IUPAC Name7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol
SMILESOc1c(O)c(O)c2c(c1O)c1c(O)c(O)c(Br)c(O)c1n2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H16BrNO7/c25-15-20(29)16-13(18(27)21(15)30)14-17(22(31)24(33)23(32)19(14)28)26(16)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,27-33H
InChIKeyZXFBYONYJUVQHX-UHFFFAOYSA-N
XLogP5.15
TPSA146.54 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500510.30
LogP ≤ 55.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

9-(3-phenylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol
CID 170105407
9-[3-(4-phenylphenyl)phenyl]-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene-4,5,6,7,11,12,16,17,18,19-decol
CID 170105463
9-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazole-1,2,3,4,5,6,7,8-octol
CID 170225973
4,5-dibromo-9-(3-phenylphenyl)carbazole
CID 139379846
2-[3-(2-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 90216183
2-bromo-9-(3-phenylphenyl)carbazole
CID 118242889
12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol
CID 142356470
2-bromo-3-(3-phenylphenyl)phenol
CID 174643694
9,18-diphenyl-27-[3-(4-phenylphenyl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 138730085
(1S,7R)-4-[3-(2-hydroxy-3-phenylphenyl)phenyl]-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
CID 90871097
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024

Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol?
The IUPAC name of 7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol (CID 170414513) is 7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol.
What is the SMILES notation for 7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol?
The canonical SMILES for 7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol is Oc1c(O)c(O)c2c(c1O)c1c(O)c(O)c(Br)c(O)c1n2-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol?
The InChIKey is ZXFBYONYJUVQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrNO7/c25-15-20(29)16-13(18(27)21(15)30)14-17(22(31)24(33)23(32)19(14)28)26(16)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,27-33H.
What are the key properties of 7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol?
7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol has a molecular weight of 510.30 g/mol, XLogP of 5.15, 2 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-(3-phenylphenyl)carbazole-1,2,3,4,5,6,8-heptol is sourced from PubChem (CID 170414513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).