4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C44H26N6O — CID 118517101

IUPAC4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8cncnc8n(-c8ccccc8)c7c6)cc45)cc32)cc1
InChIInChI=1S/C44H26N6O/c1-3-9-29(10-4-1)49-39-14-8-7-13-31(39)32-17-15-27(19-40(32)49)37-21-34-35-22-38(47-25-43(35)51-42(34)24-46-37)28-16-18-33-36-23-45-26-48-44(36)50(41(33)20-28)30-11-5-2-6-12-30/h1-26H
InChIKeyOZWCHSQGMTVDRX-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-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 118517101) 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-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID118517101
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-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8cncnc8n(-c8ccccc8)c7c6)cc45)cc32)cc1
InChIInChI=1S/C44H26N6O/c1-3-9-29(10-4-1)49-39-14-8-7-13-31(39)32-17-15-27(19-40(32)49)37-21-34-35-22-38(47-25-43(35)51-42(34)24-46-37)28-16-18-33-36-23-45-26-48-44(36)50(41(33)20-28)30-11-5-2-6-12-30/h1-26H
InChIKeyOZWCHSQGMTVDRX-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-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene with MolForge

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Related Compounds

4-(9-phenylcarbazol-2-yl)-12-(5-phenylpyrimido[5,4-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 118517130
4,12-bis(9-phenylcarbazol-2-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 118516994
2-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]-9-phenylcarbazole
CID 89433782
4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517053
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 146367342
2-(4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534501
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
9-phenyl-2-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]carbazole
CID 147817509
9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 122627424

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-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 118517101) is 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is c1ccc(-n2c3ccccc3c3ccc(-c4cc5c(cn4)oc4cnc(-c6ccc7c8cncnc8n(-c8ccccc8)c7c6)cc45)cc32)cc1.
What is the InChIKey of 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is OZWCHSQGMTVDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N6O/c1-3-9-29(10-4-1)49-39-14-8-7-13-31(39)32-17-15-27(19-40(32)49)37-21-34-35-22-38(47-25-43(35)51-42(34)24-46-37)28-16-18-33-36-23-45-26-48-44(36)50(41(33)20-28)30-11-5-2-6-12-30/h1-26H.
What are the key properties of 4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
4-(9-phenylcarbazol-2-yl)-12-(9-phenylpyrimido[4,5-b]indol-7-yl)-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-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-5,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 118517101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).