11-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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

C54H33N3O2 — CID 129289202

IUPAC11-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2cc3c4c(c2)Oc2ccccc2N4c2ccccc2O3)cc1
InChIInChI=1S/C54H33N3O2/c1-3-13-34(14-4-1)35-23-26-46-42(29-35)43-31-37(36-24-27-45-41(30-36)40-17-7-8-18-44(40)55(45)38-15-5-2-6-16-38)25-28-47(43)56(46)39-32-52-54-53(33-39)59-51-22-12-10-20-49(51)57(54)48-19-9-11-21-50(48)58-52/h1-33H
InChIKeyLACNZZRYXIDSEW-UHFFFAOYSA-N
MW755.88 g/mol
LogP14.90
Rot. Bonds4

About 11-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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 129289202) has the molecular formula C54H33N3O2 and a molecular weight of 755.88 g/mol. Its IUPAC name is 11-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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 CID129289202
Molecular FormulaC54H33N3O2
Molecular Weight755.88 g/mol
Exact Mass755.26
IUPAC Name11-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2cc3c4c(c2)Oc2ccccc2N4c2ccccc2O3)cc1
InChIInChI=1S/C54H33N3O2/c1-3-13-34(14-4-1)35-23-26-46-42(29-35)43-31-37(36-24-27-45-41(30-36)40-17-7-8-18-44(40)55(45)38-15-5-2-6-16-38)25-28-47(43)56(46)39-32-52-54-53(33-39)59-51-22-12-10-20-49(51)57(54)48-19-9-11-21-50(48)58-52/h1-33H
InChIKeyLACNZZRYXIDSEW-UHFFFAOYSA-N
XLogP14.90
TPSA31.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.88
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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 129289202) is 11-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2cc3c4c(c2)Oc2ccccc2N4c2ccccc2O3)cc1.
What is the InChIKey of 11-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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 LACNZZRYXIDSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O2/c1-3-13-34(14-4-1)35-23-26-46-42(29-35)43-31-37(36-24-27-45-41(30-36)40-17-7-8-18-44(40)55(45)38-15-5-2-6-16-38)25-28-47(43)56(46)39-32-52-54-53(33-39)59-51-22-12-10-20-49(51)57(54)48-19-9-11-21-50(48)58-52/h1-33H.
What are the key properties of 11-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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 755.88 g/mol, XLogP of 14.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-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 129289202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).