2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

C54H33N3O — CID 134223647

IUPAC2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3c4c5cc(-c6ccc7c8ccc9c%10ccccc%10oc9c8n(-c8ccccc8)c7c6)ccc5n(-c5ccccc5)c4ccc32)cc1
InChIInChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-45-22-12-10-21-43(45)51-47(55)30-31-48-52(51)44-32-34(25-29-46(44)56(48)37-16-6-2-7-17-37)35-24-26-39-41-27-28-42-40-20-11-13-23-50(40)58-54(42)53(41)57(49(39)33-35)38-18-8-3-9-19-38/h1-33H
InChIKeyWUIZFJLFRZWKPL-UHFFFAOYSA-N
MW739.88 g/mol
LogP14.54
Rot. Bonds4

About 2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 134223647) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID134223647
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3c4c5cc(-c6ccc7c8ccc9c%10ccccc%10oc9c8n(-c8ccccc8)c7c6)ccc5n(-c5ccccc5)c4ccc32)cc1
InChIInChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-45-22-12-10-21-43(45)51-47(55)30-31-48-52(51)44-32-34(25-29-46(44)56(48)37-16-6-2-7-17-37)35-24-26-39-41-27-28-42-40-20-11-13-23-50(40)58-54(42)53(41)57(49(39)33-35)38-18-8-3-9-19-38/h1-33H
InChIKeyWUIZFJLFRZWKPL-UHFFFAOYSA-N
XLogP14.54
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole (CID 134223647) is 2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3c4c5cc(-c6ccc7c8ccc9c%10ccccc%10oc9c8n(-c8ccccc8)c7c6)ccc5n(-c5ccccc5)c4ccc32)cc1.
What is the InChIKey of 2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is WUIZFJLFRZWKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-45-22-12-10-21-43(45)51-47(55)30-31-48-52(51)44-32-34(25-29-46(44)56(48)37-16-6-2-7-17-37)35-24-26-39-41-27-28-42-40-20-11-13-23-50(40)58-54(42)53(41)57(49(39)33-35)38-18-8-3-9-19-38/h1-33H.
What are the key properties of 2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 739.88 g/mol, XLogP of 14.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 134223647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).