11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C53H32N4O2 — CID 129289205

IUPAC11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccncc6)ccc4n5-c4cc5c6c(c4)Oc4ccccc4N6c4ccccc4O5)ccc32)cc1
InChIInChI=1S/C53H32N4O2/c1-2-10-37(11-3-1)55-43-13-5-4-12-39(43)40-29-35(19-22-44(40)55)36-20-23-46-42(30-36)41-28-34(33-24-26-54-27-25-33)18-21-45(41)56(46)38-31-51-53-52(32-38)59-50-17-9-7-15-48(50)57(53)47-14-6-8-16-49(47)58-51/h1-32H
InChIKeyZHTUZMUEHOWFAH-UHFFFAOYSA-N
MW756.87 g/mol
LogP14.29
Rot. Bonds4

About 11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 129289205) has the molecular formula C53H32N4O2 and a molecular weight of 756.87 g/mol. Its IUPAC name is 11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID129289205
Molecular FormulaC53H32N4O2
Molecular Weight756.87 g/mol
Exact Mass756.25
IUPAC Name11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccncc6)ccc4n5-c4cc5c6c(c4)Oc4ccccc4N6c4ccccc4O5)ccc32)cc1
InChIInChI=1S/C53H32N4O2/c1-2-10-37(11-3-1)55-43-13-5-4-12-39(43)40-29-35(19-22-44(40)55)36-20-23-46-42(30-36)41-28-34(33-24-26-54-27-25-33)18-21-45(41)56(46)38-31-51-53-52(32-38)59-50-17-9-7-15-48(50)57(53)47-14-6-8-16-49(47)58-51/h1-32H
InChIKeyZHTUZMUEHOWFAH-UHFFFAOYSA-N
XLogP14.29
TPSA44.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.87
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 129289205) is 11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccncc6)ccc4n5-c4cc5c6c(c4)Oc4ccccc4N6c4ccccc4O5)ccc32)cc1.
What is the InChIKey of 11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is ZHTUZMUEHOWFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O2/c1-2-10-37(11-3-1)55-43-13-5-4-12-39(43)40-29-35(19-22-44(40)55)36-20-23-46-42(30-36)41-28-34(33-24-26-54-27-25-33)18-21-45(41)56(46)38-31-51-53-52(32-38)59-50-17-9-7-15-48(50)57(53)47-14-6-8-16-49(47)58-51/h1-32H.
What are the key properties of 11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 756.87 g/mol, XLogP of 14.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(9-phenylcarbazol-3-yl)-6-pyridin-4-ylcarbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 129289205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).