12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol

C42H28N2O2 — CID 142356470

IUPAC12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol
SMILESOc1c(O)c2c3ccccc3n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C42H28N2O2/c45-41-37-33-20-10-12-22-35(33)43(31-18-8-3-9-19-31)39(37)40-38(42(41)46)34-21-11-13-23-36(34)44(40)32-25-29(27-14-4-1-5-15-27)24-30(26-32)28-16-6-2-7-17-28/h1-26,45-46H
InChIKeyQRXFIVKYNAAUIB-UHFFFAOYSA-N
MW592.70 g/mol
LogP10.63
Rot. Bonds4

About 12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol

12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol (PubChem CID 142356470) has the molecular formula C42H28N2O2 and a molecular weight of 592.70 g/mol. Its IUPAC name is 12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol.

Molecular Properties

Compound Name12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol
PubChem CID142356470
Molecular FormulaC42H28N2O2
Molecular Weight592.70 g/mol
Exact Mass592.22
IUPAC Name12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol
SMILESOc1c(O)c2c3ccccc3n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C42H28N2O2/c45-41-37-33-20-10-12-22-35(33)43(31-18-8-3-9-19-31)39(37)40-38(42(41)46)34-21-11-13-23-36(34)44(40)32-25-29(27-14-4-1-5-15-27)24-30(26-32)28-16-6-2-7-17-28/h1-26,45-46H
InChIKeyQRXFIVKYNAAUIB-UHFFFAOYSA-N
XLogP10.63
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.70
LogP ≤ 510.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol
CID 170360926
15-(3,5-diphenylphenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 146180861
12-(3,5-diphenylphenyl)-5-phenylindolo[3,2-c]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 167636301
9,14-bis(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,5-diphenylphenyl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162231866
12-phenyl-5-[3-phenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 58038424
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118318959
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
9,18-diphenyl-21-(4-phenylphenyl)-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138729666
18-phenyl-9,21-bis(4-phenylphenyl)-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138729733
deuterium monohydride;15-(3,5-diphenylphenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 158903213
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488

Frequently Asked Questions

What is the IUPAC name of 12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol?
The IUPAC name of 12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol (CID 142356470) is 12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol.
What is the SMILES notation for 12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol?
The canonical SMILES for 12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol is Oc1c(O)c2c3ccccc3n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol?
The InChIKey is QRXFIVKYNAAUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O2/c45-41-37-33-20-10-12-22-35(33)43(31-18-8-3-9-19-31)39(37)40-38(42(41)46)34-21-11-13-23-36(34)44(40)32-25-29(27-14-4-1-5-15-27)24-30(26-32)28-16-6-2-7-17-28/h1-26,45-46H.
What are the key properties of 12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol?
12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol has a molecular weight of 592.70 g/mol, XLogP of 10.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole-5,6-diol is sourced from PubChem (CID 142356470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).