CID 166569779

C32H21N2O — CID 166569779

IUPAC—
SMILESc1ccc([C](c2ccncc2)c2ccc(-n3c4ccccc4c4c5ccccc5oc43)cc2)cc1
InChIInChI=1S/C32H21N2O/c1-2-8-22(9-3-1)30(24-18-20-33-21-19-24)23-14-16-25(17-15-23)34-28-12-6-4-10-26(28)31-27-11-5-7-13-29(27)35-32(31)34/h1-21H
InChIKeyVDTOTDLJDMJYOZ-UHFFFAOYSA-N
MW449.53 g/mol
LogP7.94
Rot. Bonds4

About CID 166569779

CID 166569779 (PubChem CID 166569779) has the molecular formula C32H21N2O and a molecular weight of 449.53 g/mol.

Molecular Properties

Compound NameCID 166569779
PubChem CID166569779
Molecular FormulaC32H21N2O
Molecular Weight449.53 g/mol
Exact Mass449.17
IUPAC Name—
SMILESc1ccc([C](c2ccncc2)c2ccc(-n3c4ccccc4c4c5ccccc5oc43)cc2)cc1
InChIInChI=1S/C32H21N2O/c1-2-8-22(9-3-1)30(24-18-20-33-21-19-24)23-14-16-25(17-15-23)34-28-12-6-4-10-26(28)31-27-11-5-7-13-29(27)35-32(31)34/h1-21H
InChIKeyVDTOTDLJDMJYOZ-UHFFFAOYSA-N
XLogP7.94
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.53
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-b]indole
CID 121298654
9-([1]benzofuro[2,3-b]indol-6-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 144751633
6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole
CID 165168869
6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 165168964
18-phenyl-9-pyridin-4-yl-21-oxa-9,18-diazaheptacyclo[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 118634621
6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole
CID 165168862
6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole
CID 121298649
10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
CID 144848463
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole
CID 165169108
9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole
CID 90267791
8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-4,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 144848562
6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole
CID 167550552

Frequently Asked Questions

What is the IUPAC name of CID 166569779?
The IUPAC name of CID 166569779 (CID 166569779) is not available.
What is the SMILES notation for CID 166569779?
The canonical SMILES for CID 166569779 is c1ccc([C](c2ccncc2)c2ccc(-n3c4ccccc4c4c5ccccc5oc43)cc2)cc1.
What is the InChIKey of CID 166569779?
The InChIKey is VDTOTDLJDMJYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N2O/c1-2-8-22(9-3-1)30(24-18-20-33-21-19-24)23-14-16-25(17-15-23)34-28-12-6-4-10-26(28)31-27-11-5-7-13-29(27)35-32(31)34/h1-21H.
What are the key properties of CID 166569779?
CID 166569779 has a molecular weight of 449.53 g/mol, XLogP of 7.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166569779 is sourced from PubChem (CID 166569779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).