21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene

C82H50N4O — CID 122472145

IUPAC21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
SMILESc1ccc(-c2ccc3oc4c(-n5c6ccccc6c6cc(-c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(ccn9-c9ccccc9)c8)cc(-n8c9ccccc9c9c%10ccccc%10c%10ccccc%10c98)c7)ccc65)cccc4c3c2)cc1
InChIInChI=1S/C82H50N4O/c1-3-18-51(19-4-1)52-36-41-79-71(50-52)67-29-17-33-78(82(67)87-79)86-74-31-15-12-25-64(74)70-49-54(35-39-77(70)86)57-44-56(46-60(47-57)85-75-32-16-13-28-68(75)80-65-26-9-7-22-61(65)62-23-8-10-27-66(62)81(80)85)53-34-38-76-69(48-53)63-24-11-14-30-73(63)84(76)59-37-40-72-55(45-59)42-43-83(72)58-20-5-2-6-21-58/h1-50H
InChIKeyBTQWMALIPMRLDA-UHFFFAOYSA-N
MW1107.33 g/mol
LogP22.13
Rot. Bonds7

About 21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene

21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene (PubChem CID 122472145) has the molecular formula C82H50N4O and a molecular weight of 1107.33 g/mol. Its IUPAC name is 21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene.

Molecular Properties

Compound Name21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
PubChem CID122472145
Molecular FormulaC82H50N4O
Molecular Weight1107.33 g/mol
Exact Mass1106.40
IUPAC Name21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
SMILESc1ccc(-c2ccc3oc4c(-n5c6ccccc6c6cc(-c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(ccn9-c9ccccc9)c8)cc(-n8c9ccccc9c9c%10ccccc%10c%10ccccc%10c98)c7)ccc65)cccc4c3c2)cc1
InChIInChI=1S/C82H50N4O/c1-3-18-51(19-4-1)52-36-41-79-71(50-52)67-29-17-33-78(82(67)87-79)86-74-31-15-12-25-64(74)70-49-54(35-39-77(70)86)57-44-56(46-60(47-57)85-75-32-16-13-28-68(75)80-65-26-9-7-22-61(65)62-23-8-10-27-66(62)81(80)85)53-34-38-76-69(48-53)63-24-11-14-30-73(63)84(76)59-37-40-72-55(45-59)42-43-83(72)58-20-5-2-6-21-58/h1-50H
InChIKeyBTQWMALIPMRLDA-UHFFFAOYSA-N
XLogP22.13
TPSA32.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.33
LogP ≤ 522.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The IUPAC name of 21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene (CID 122472145) is 21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene.
What is the SMILES notation for 21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The canonical SMILES for 21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene is c1ccc(-c2ccc3oc4c(-n5c6ccccc6c6cc(-c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9c(ccn9-c9ccccc9)c8)cc(-n8c9ccccc9c9c%10ccccc%10c%10ccccc%10c98)c7)ccc65)cccc4c3c2)cc1.
What is the InChIKey of 21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The InChIKey is BTQWMALIPMRLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50N4O/c1-3-18-51(19-4-1)52-36-41-79-71(50-52)67-29-17-33-78(82(67)87-79)86-74-31-15-12-25-64(74)70-49-54(35-39-77(70)86)57-44-56(46-60(47-57)85-75-32-16-13-28-68(75)80-65-26-9-7-22-61(65)62-23-8-10-27-66(62)81(80)85)53-34-38-76-69(48-53)63-24-11-14-30-73(63)84(76)59-37-40-72-55(45-59)42-43-83(72)58-20-5-2-6-21-58/h1-50H.
What are the key properties of 21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene has a molecular weight of 1107.33 g/mol, XLogP of 22.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 21-[3-[9-(8-phenyldibenzofuran-4-yl)carbazol-3-yl]-5-[9-(1-phenylindol-5-yl)carbazol-3-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene is sourced from PubChem (CID 122472145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).