19-[3-(7-phenylbenzo[c]carbazol-3-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene

C52H30N4O — CID 138527761

About 19-[3-(7-phenylbenzo[c]carbazol-3-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene

19-[3-(7-phenylbenzo[c]carbazol-3-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene (PubChem CID 138527761) has the molecular formula C52H30N4O and a molecular weight of 726.84 g/mol. Its IUPAC name is 19-[3-(7-phenylbenzo[c]carbazol-3-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene.

Molecular Properties

• Compound Name: 19-[3-(7-phenylbenzo[c]carbazol-3-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
• PubChem CID: 138527761
• Molecular Formula: C52H30N4O
• Molecular Weight: 726.84 g/mol
• Exact Mass: 726.24
• IUPAC Name: 19-[3-(7-phenylbenzo[c]carbazol-3-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
• SMILES: c1ccc(-n2c3ccccc3c3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5cc7ccccc7cc5-6)cc4ccc32)cc1
• InChI: InChI=1S/C52H30N4O/c1-2-13-36(14-3-1)55-44-19-9-7-16-39(44)49-37-24-21-33(27-35(37)23-26-46(49)55)34-22-25-45-40(28-34)38-15-6-8-18-43(38)56(45)52-53-42-17-10-20-47-50(42)51(54-52)41-29-31-11-4-5-12-32(31)30-48(41)57-47/h1-30H
• InChIKey: XRWBIAXNQGPFCR-UHFFFAOYSA-N
• XLogP: 13.57
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.84
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 19-[3-(7-phenylbenzo[c]carbazol-3-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?

The IUPAC name of 19-[3-(7-phenylbenzo[c]carbazol-3-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene (CID 138527761) is 19-[3-(7-phenylbenzo[c]carbazol-3-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene.

What is the SMILES notation for 19-[3-(7-phenylbenzo[c]carbazol-3-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?

The canonical SMILES for 19-[3-(7-phenylbenzo[c]carbazol-3-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene is c1ccc(-n2c3ccccc3c3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5cc7ccccc7cc5-6)cc4ccc32)cc1.

What is the InChIKey of 19-[3-(7-phenylbenzo[c]carbazol-3-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?

The InChIKey is XRWBIAXNQGPFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O/c1-2-13-36(14-3-1)55-44-19-9-7-16-39(44)49-37-24-21-33(27-35(37)23-26-46(49)55)34-22-25-45-40(28-34)38-15-6-8-18-43(38)56(45)52-53-42-17-10-20-47-50(42)51(54-52)41-29-31-11-4-5-12-32(31)30-48(41)57-47/h1-30H.

What are the key properties of 19-[3-(7-phenylbenzo[c]carbazol-3-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?

19-[3-(7-phenylbenzo[c]carbazol-3-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene has a molecular weight of 726.84 g/mol, XLogP of 13.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[3-(7-phenylbenzo[c]carbazol-3-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene is sourced from PubChem (CID 138527761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).