4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C44H26N6O — CID 118517113

IUPAC4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9cncnc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1
InChIInChI=1S/C44H26N6O/c1-3-9-31(10-4-1)49-39-14-8-7-13-33(39)34-17-15-27(21-40(34)49)29-19-36-37-20-30(24-47-44(37)51-43(36)46-23-29)28-16-18-35-38-25-45-26-48-42(38)50(41(35)22-28)32-11-5-2-6-12-32/h1-26H
InChIKeyHBUYSEADRMACBH-UHFFFAOYSA-N
MW654.73 g/mol
LogP10.69
Rot. Bonds4

About 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 118517113) has the molecular formula C44H26N6O and a molecular weight of 654.73 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID118517113
Molecular FormulaC44H26N6O
Molecular Weight654.73 g/mol
Exact Mass654.22
IUPAC Name4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9cncnc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1
InChIInChI=1S/C44H26N6O/c1-3-9-31(10-4-1)49-39-14-8-7-13-33(39)34-17-15-27(21-40(34)49)29-19-36-37-20-30(24-47-44(37)51-43(36)46-23-29)28-16-18-35-38-25-45-26-48-42(38)50(41(35)22-28)32-11-5-2-6-12-32/h1-26H
InChIKeyHBUYSEADRMACBH-UHFFFAOYSA-N
XLogP10.69
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.73
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 118517113) is 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-n2c3ccccc3c3ccc(-c4cnc5oc6ncc(-c7ccc8c9cncnc9n(-c9ccccc9)c8c7)cc6c5c4)cc32)cc1.
What is the InChIKey of 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is HBUYSEADRMACBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N6O/c1-3-9-31(10-4-1)49-39-14-8-7-13-33(39)34-17-15-27(21-40(34)49)29-19-36-37-20-30(24-47-44(37)51-43(36)46-23-29)28-16-18-35-38-25-45-26-48-42(38)50(41(35)22-28)32-11-5-2-6-12-32/h1-26H.
What are the key properties of 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 654.73 g/mol, XLogP of 10.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 118517113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).