12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene

C46H34N6O — CID 144855830

IUPAC12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8c(c9c7-c7nccn7CCC9)CCCn7ccnc7-8)cc6c5c4)ccc32)cc1
InChIInChI=1S/C46H34N6O/c1-2-8-31(9-3-1)51-39-13-5-4-10-33(39)36-26-29(14-17-40(36)51)30-15-18-41-37(27-30)38-28-32(16-19-42(38)53-41)52-43-34(11-6-22-49-24-20-47-45(43)49)35-12-7-23-50-25-21-48-46(50)44(35)52/h1-5,8-10,13-21,24-28H,6-7,11-12,22-23H2
InChIKeyVWZPYSNMRLBMMJ-UHFFFAOYSA-N
MW686.82 g/mol
LogP10.76
Rot. Bonds3

About 12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene

12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene (PubChem CID 144855830) has the molecular formula C46H34N6O and a molecular weight of 686.82 g/mol. Its IUPAC name is 12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene.

Molecular Properties

Compound Name12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene
PubChem CID144855830
Molecular FormulaC46H34N6O
Molecular Weight686.82 g/mol
Exact Mass686.28
IUPAC Name12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8c(c9c7-c7nccn7CCC9)CCCn7ccnc7-8)cc6c5c4)ccc32)cc1
InChIInChI=1S/C46H34N6O/c1-2-8-31(9-3-1)51-39-13-5-4-10-33(39)36-26-29(14-17-40(36)51)30-15-18-41-37(27-30)38-28-32(16-19-42(38)53-41)52-43-34(11-6-22-49-24-20-47-45(43)49)35-12-7-23-50-25-21-48-46(50)44(35)52/h1-5,8-10,13-21,24-28H,6-7,11-12,22-23H2
InChIKeyVWZPYSNMRLBMMJ-UHFFFAOYSA-N
XLogP10.76
TPSA58.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene with MolForge

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Related Compounds

3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 90211475
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299

Frequently Asked Questions

What is the IUPAC name of 12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene?
The IUPAC name of 12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene (CID 144855830) is 12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene.
What is the SMILES notation for 12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene?
The canonical SMILES for 12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8c(c9c7-c7nccn7CCC9)CCCn7ccnc7-8)cc6c5c4)ccc32)cc1.
What is the InChIKey of 12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene?
The InChIKey is VWZPYSNMRLBMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N6O/c1-2-8-31(9-3-1)51-39-13-5-4-10-33(39)36-26-29(14-17-40(36)51)30-15-18-41-37(27-30)38-28-32(16-19-42(38)53-41)52-43-34(11-6-22-49-24-20-47-45(43)49)35-12-7-23-50-25-21-48-46(50)44(35)52/h1-5,8-10,13-21,24-28H,6-7,11-12,22-23H2.
What are the key properties of 12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene?
12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene has a molecular weight of 686.82 g/mol, XLogP of 10.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene is sourced from PubChem (CID 144855830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).