4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol

C28H24N2O2 — CID 14526486

IUPAC4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol
SMILESCc1c(O)c(-c2c(O)c(C)c(C)c3[nH]c4ccccc4c23)c2c([nH]c3ccccc32)c1C
InChIInChI=1S/C28H24N2O2/c1-13-15(3)27(31)23(21-17-9-5-7-11-19(17)29-25(13)21)24-22-18-10-6-8-12-20(18)30-26(22)14(2)16(4)28(24)32/h5-12,29-32H,1-4H3
InChIKeyRXWNSPMKONYUEC-UHFFFAOYSA-N
MW420.51 g/mol
LogP7.27
Rot. Bonds1

About 4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol

4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol (PubChem CID 14526486) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol.

Molecular Properties

Compound Name4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol
PubChem CID14526486
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol
SMILESCc1c(O)c(-c2c(O)c(C)c(C)c3[nH]c4ccccc4c23)c2c([nH]c3ccccc32)c1C
InChIInChI=1S/C28H24N2O2/c1-13-15(3)27(31)23(21-17-9-5-7-11-19(17)29-25(13)21)24-22-18-10-6-8-12-20(18)30-26(22)14(2)16(4)28(24)32/h5-12,29-32H,1-4H3
InChIKeyRXWNSPMKONYUEC-UHFFFAOYSA-N
XLogP7.27
TPSA72.04 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 57.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-9H-carbazol-4-ol
CID 91664822
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677
4,11,12-trimethyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 146638375
CID 131863122
CID 131863122
3-methyl-9H-carbazol-4-ol
CID 11116991
2-(1-amino-3-methyl-9H-carbazol-4-yl)phenol
CID 174504107
6-[(4-hydroxy-3-methoxy-2-methyl-9H-carbazol-1-yl)methyl]-3-methoxy-1,2-dimethyl-9H-carbazol-4-ol
CID 54756974
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
6,11-diphenyl-5H-benzo[b]carbazole
CID 10785338
carbanide;ethane;2-methyl-9H-carbazol-1-ol;yttrium
CID 161379939
2-methyl-1-phenyl-9H-carbazol-3-ol
CID 11097717
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one
CID 142092755

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol?
The IUPAC name of 4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol (CID 14526486) is 4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol.
What is the SMILES notation for 4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol?
The canonical SMILES for 4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol is Cc1c(O)c(-c2c(O)c(C)c(C)c3[nH]c4ccccc4c23)c2c([nH]c3ccccc32)c1C.
What is the InChIKey of 4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol?
The InChIKey is RXWNSPMKONYUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c1-13-15(3)27(31)23(21-17-9-5-7-11-19(17)29-25(13)21)24-22-18-10-6-8-12-20(18)30-26(22)14(2)16(4)28(24)32/h5-12,29-32H,1-4H3.
What are the key properties of 4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol?
4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol has a molecular weight of 420.51 g/mol, XLogP of 7.27, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol is sourced from PubChem (CID 14526486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).