9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C78H48N6 — CID 58038344

IUPAC9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C78H48N6/c1-4-22-49(23-5-1)79-67-37-19-13-31-59(67)75-70(79)42-43-71-76(75)60-32-14-20-38-68(60)81(71)52-44-53(82-69-39-21-15-33-61(69)77-72(82)41-40-58-55-28-10-18-36-66(55)84(78(58)77)51-26-8-3-9-27-51)46-54(45-52)83-65-35-17-12-30-57(65)63-47-73-62(48-74(63)83)56-29-11-16-34-64(56)80(73)50-24-6-2-7-25-50/h1-48H
InChIKeyYQRLDWFBYBLQMV-UHFFFAOYSA-N
MW1069.28 g/mol
LogP20.27
Rot. Bonds6

About 9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 58038344) has the molecular formula C78H48N6 and a molecular weight of 1069.28 g/mol. Its IUPAC name is 9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID58038344
Molecular FormulaC78H48N6
Molecular Weight1069.28 g/mol
Exact Mass1068.39
IUPAC Name9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C78H48N6/c1-4-22-49(23-5-1)79-67-37-19-13-31-59(67)75-70(79)42-43-71-76(75)60-32-14-20-38-68(60)81(71)52-44-53(82-69-39-21-15-33-61(69)77-72(82)41-40-58-55-28-10-18-36-66(55)84(78(58)77)51-26-8-3-9-27-51)46-54(45-52)83-65-35-17-12-30-57(65)63-47-73-62(48-74(63)83)56-29-11-16-34-64(56)80(73)50-24-6-2-7-25-50/h1-48H
InChIKeyYQRLDWFBYBLQMV-UHFFFAOYSA-N
XLogP20.27
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.28
LogP ≤ 520.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 58038344) is 9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of 9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is YQRLDWFBYBLQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N6/c1-4-22-49(23-5-1)79-67-37-19-13-31-59(67)75-70(79)42-43-71-76(75)60-32-14-20-38-68(60)81(71)52-44-53(82-69-39-21-15-33-61(69)77-72(82)41-40-58-55-28-10-18-36-66(55)84(78(58)77)51-26-8-3-9-27-51)46-54(45-52)83-65-35-17-12-30-57(65)63-47-73-62(48-74(63)83)56-29-11-16-34-64(56)80(73)50-24-6-2-7-25-50/h1-48H.
What are the key properties of 9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 1069.28 g/mol, XLogP of 20.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-14-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 58038344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).