7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole

C82H45N11O — CID 139484321

IUPAC7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2ncc3c4cc(-c5ccc6c(c5)c5cc7c8ccccc8n(-c8ncc9c%10ccccc%10c%10cnc(-c%11ccccc%11)nc%10c9n8)c7cc5n6-c5ccccc5)ccc4c4cnc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)nc4c3n2)cc1
InChIInChI=1S/C82H45N11O/c1-4-18-46(19-5-1)79-83-42-63-51-24-10-11-25-52(51)64-44-85-81(89-77(64)75(63)87-79)92-67-29-15-12-26-54(67)59-38-61-58-37-49(33-35-69(58)91(70(61)40-71(59)92)50-22-8-3-9-23-50)48-32-34-53-57(36-48)66-43-84-80(47-20-6-2-7-21-47)88-76(66)78-65(53)45-86-82(90-78)93-68-30-16-13-27-55(68)60-39-62-56-28-14-17-31-73(56)94-74(62)41-72(60)93/h1-45H
InChIKeyWCPMXIXJNMHZAE-UHFFFAOYSA-N
MW1200.34 g/mol
LogP19.96
Rot. Bonds6

About 7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole

7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 139484321) has the molecular formula C82H45N11O and a molecular weight of 1200.34 g/mol. Its IUPAC name is 7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID139484321
Molecular FormulaC82H45N11O
Molecular Weight1200.34 g/mol
Exact Mass1199.38
IUPAC Name7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2ncc3c4cc(-c5ccc6c(c5)c5cc7c8ccccc8n(-c8ncc9c%10ccccc%10c%10cnc(-c%11ccccc%11)nc%10c9n8)c7cc5n6-c5ccccc5)ccc4c4cnc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)nc4c3n2)cc1
InChIInChI=1S/C82H45N11O/c1-4-18-46(19-5-1)79-83-42-63-51-24-10-11-25-52(51)64-44-85-81(89-77(64)75(63)87-79)92-67-29-15-12-26-54(67)59-38-61-58-37-49(33-35-69(58)91(70(61)40-71(59)92)50-22-8-3-9-23-50)48-32-34-53-57(36-48)66-43-84-80(47-20-6-2-7-21-47)88-76(66)78-65(53)45-86-82(90-78)93-68-30-16-13-27-55(68)60-39-62-56-28-14-17-31-73(56)94-74(62)41-72(60)93/h1-45H
InChIKeyWCPMXIXJNMHZAE-UHFFFAOYSA-N
XLogP19.96
TPSA131.05 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001200.34
LogP ≤ 519.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole (CID 139484321) is 7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2ncc3c4cc(-c5ccc6c(c5)c5cc7c8ccccc8n(-c8ncc9c%10ccccc%10c%10cnc(-c%11ccccc%11)nc%10c9n8)c7cc5n6-c5ccccc5)ccc4c4cnc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)nc4c3n2)cc1.
What is the InChIKey of 7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is WCPMXIXJNMHZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H45N11O/c1-4-18-46(19-5-1)79-83-42-63-51-24-10-11-25-52(51)64-44-85-81(89-77(64)75(63)87-79)92-67-29-15-12-26-54(67)59-38-61-58-37-49(33-35-69(58)91(70(61)40-71(59)92)50-22-8-3-9-23-50)48-32-34-53-57(36-48)66-43-84-80(47-20-6-2-7-21-47)88-76(66)78-65(53)45-86-82(90-78)93-68-30-16-13-27-55(68)60-39-62-56-28-14-17-31-73(56)94-74(62)41-72(60)93/h1-45H.
What are the key properties of 7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole?
7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 1200.34 g/mol, XLogP of 19.96, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[17-phenyl-11-[5-phenyl-7-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-b]carbazol-2-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 139484321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).