11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one

C44H28N2O2 — CID 123297046

IUPAC11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one
SMILESO=c1c2ccccc2c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc3c2n1C(O)c1ccccc1-3
InChIInChI=1S/C44H28N2O2/c47-43-34-17-9-7-15-32(34)38-25-31(26-39-33-16-8-10-18-35(33)44(48)46(43)42(38)39)45-40-21-19-29(27-11-3-1-4-12-27)23-36(40)37-24-30(20-22-41(37)45)28-13-5-2-6-14-28/h1-26,43,47H
InChIKeyMFWVBDVHUGZBBW-UHFFFAOYSA-N
MW616.72 g/mol
LogP10.11
Rot. Bonds3

About 11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one

11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one (PubChem CID 123297046) has the molecular formula C44H28N2O2 and a molecular weight of 616.72 g/mol. Its IUPAC name is 11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one.

Molecular Properties

Compound Name11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one
PubChem CID123297046
Molecular FormulaC44H28N2O2
Molecular Weight616.72 g/mol
Exact Mass616.22
IUPAC Name11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one
SMILESO=c1c2ccccc2c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc3c2n1C(O)c1ccccc1-3
InChIInChI=1S/C44H28N2O2/c47-43-34-17-9-7-15-32(34)38-25-31(26-39-33-16-8-10-18-35(33)44(48)46(43)42(38)39)45-40-21-19-29(27-11-3-1-4-12-27)23-36(40)37-24-30(20-22-41(37)45)28-13-5-2-6-14-28/h1-26,43,47H
InChIKeyMFWVBDVHUGZBBW-UHFFFAOYSA-N
XLogP10.11
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.72
LogP ≤ 510.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

11,25-diphenyl-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.017,22.023,27]heptacosa-1(27),2(14),3,5,7,9,12,17,19,21,23,25-dodecaen-16-ol
CID 123842990
11-[4-(3-phenylcarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 118390314
11-dibenzothiophen-4-yl-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one
CID 123282125
2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one
CID 90379886
23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121446892
3-carbazol-9-yl-9-phenyl-1-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 138705475
9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one
CID 139524600
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one
CID 142451944
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760

Frequently Asked Questions

What is the IUPAC name of 11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one?
The IUPAC name of 11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one (CID 123297046) is 11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one.
What is the SMILES notation for 11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one?
The canonical SMILES for 11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one is O=c1c2ccccc2c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc3c2n1C(O)c1ccccc1-3.
What is the InChIKey of 11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one?
The InChIKey is MFWVBDVHUGZBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O2/c47-43-34-17-9-7-15-32(34)38-25-31(26-39-33-16-8-10-18-35(33)44(48)46(43)42(38)39)45-40-21-19-29(27-11-3-1-4-12-27)23-36(40)37-24-30(20-22-41(37)45)28-13-5-2-6-14-28/h1-26,43,47H.
What are the key properties of 11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one?
11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one has a molecular weight of 616.72 g/mol, XLogP of 10.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,6-diphenylcarbazol-9-yl)-20-hydroxy-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaen-2-one is sourced from PubChem (CID 123297046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).