9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol

C31H20N2O — CID 171747083

IUPAC9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol
SMILESOc1ccc2c3ccccc3n(/C3=N/c4ccccc4-c4ccccc4-c4ccccc43)c2c1
InChIInChI=1S/C31H20N2O/c34-20-17-18-26-25-13-6-8-16-29(25)33(30(26)19-20)31-27-14-4-3-11-23(27)21-9-1-2-10-22(21)24-12-5-7-15-28(24)32-31/h1-19,34H/b23-21-,24-22-,31-27+,32-28-,32-31+
InChIKeyYOWSGCMDVQMQFL-BQEGLKPHSA-N
MW436.51 g/mol
LogP7.77
Rot. Bonds

About 9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol

9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol (PubChem CID 171747083) has the molecular formula C31H20N2O and a molecular weight of 436.51 g/mol. Its IUPAC name is 9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol.

Molecular Properties

Compound Name9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol
PubChem CID171747083
Molecular FormulaC31H20N2O
Molecular Weight436.51 g/mol
Exact Mass436.16
IUPAC Name9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol
SMILESOc1ccc2c3ccccc3n(/C3=N/c4ccccc4-c4ccccc4-c4ccccc43)c2c1
InChIInChI=1S/C31H20N2O/c34-20-17-18-26-25-13-6-8-16-29(25)33(30(26)19-20)31-27-14-4-3-11-23(27)21-9-1-2-10-22(21)24-12-5-7-15-28(24)32-31/h1-19,34H/b23-21-,24-22-,31-27+,32-28-,32-31+
InChIKeyYOWSGCMDVQMQFL-BQEGLKPHSA-N
XLogP7.77
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol with MolForge

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Related Compounds

9-(3-methyl-2-pyridinyl)carbazol-2-ol
CID 141484021
9-(1,2-dihydropyridin-6-yl)carbazol-2-ol
CID 163636559
9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol
CID 168810900
9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol
CID 139035892
9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol
CID 171608916
5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 135345703
9-hydroxycarbazole-2,7-diol
CID 118518273
9-(4-tert-butyltelluropheno[2,3-b]pyridin-6-yl)carbazol-2-ol
CID 167378737
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973
2-[9-(4-methylphenyl)carbazol-2-yl]phenol
CID 118682159
(4-chlorophenyl)-(2-hydroxycarbazol-9-yl)methanone
CID 20787891
5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol
CID 171053071

Frequently Asked Questions

What is the IUPAC name of 9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol?
The IUPAC name of 9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol (CID 171747083) is 9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol.
What is the SMILES notation for 9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol?
The canonical SMILES for 9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol is Oc1ccc2c3ccccc3n(/C3=N/c4ccccc4-c4ccccc4-c4ccccc43)c2c1.
What is the InChIKey of 9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol?
The InChIKey is YOWSGCMDVQMQFL-BQEGLKPHSA-N. The full InChI is InChI=1S/C31H20N2O/c34-20-17-18-26-25-13-6-8-16-29(25)33(30(26)19-20)31-27-14-4-3-11-23(27)21-9-1-2-10-22(21)24-12-5-7-15-28(24)32-31/h1-19,34H/b23-21-,24-22-,31-27+,32-28-,32-31+.
What are the key properties of 9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol?
9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol has a molecular weight of 436.51 g/mol, XLogP of 7.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-15-yl)carbazol-2-ol is sourced from PubChem (CID 171747083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).