5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]carbazole

C82H45N11O — CID 139484010

IUPAC5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]carbazole
SMILESc1ccc(-c2ncc3c4cc(-c5cccc(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ncc9c%10ccccc%10c%10cnc(-c%11ccccc%11)nc%10c9n8)c76)c5)ccc4c4cnc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)nc4c3n2)cc1
InChIInChI=1S/C82H45N11O/c1-3-18-46(19-4-1)79-83-42-61-51-24-7-8-25-52(51)62-44-85-81(89-75(62)73(61)87-79)92-66-31-14-10-28-58(66)71-68(92)38-36-56-54-26-9-13-30-65(54)91(77(56)71)50-23-17-22-48(40-50)49-34-35-53-60(41-49)64-43-84-80(47-20-5-2-6-21-47)88-74(64)76-63(53)45-86-82(90-76)93-67-32-15-11-29-59(67)72-69(93)39-37-57-55-27-12-16-33-70(55)94-78(57)72/h1-45H
InChIKeyFXBZGQQPEKAWPF-UHFFFAOYSA-N
MW1200.34 g/mol
LogP19.96
Rot. Bonds6

About 5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]carbazole

5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]carbazole (PubChem CID 139484010) has the molecular formula C82H45N11O and a molecular weight of 1200.34 g/mol. Its IUPAC name is 5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]carbazole.

Molecular Properties

Compound Name5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]carbazole
PubChem CID139484010
Molecular FormulaC82H45N11O
Molecular Weight1200.34 g/mol
Exact Mass1199.38
IUPAC Name5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]carbazole
SMILESc1ccc(-c2ncc3c4cc(-c5cccc(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ncc9c%10ccccc%10c%10cnc(-c%11ccccc%11)nc%10c9n8)c76)c5)ccc4c4cnc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)nc4c3n2)cc1
InChIInChI=1S/C82H45N11O/c1-3-18-46(19-4-1)79-83-42-61-51-24-7-8-25-52(51)62-44-85-81(89-75(62)73(61)87-79)92-66-31-14-10-28-58(66)71-68(92)38-36-56-54-26-9-13-30-65(54)91(77(56)71)50-23-17-22-48(40-50)49-34-35-53-60(41-49)64-43-84-80(47-20-5-2-6-21-47)88-74(64)76-63(53)45-86-82(90-76)93-67-32-15-11-29-59(67)72-69(93)39-37-57-55-27-12-16-33-70(55)94-78(57)72/h1-45H
InChIKeyFXBZGQQPEKAWPF-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 5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]carbazole with MolForge

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Related Compounds

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CID 72190663
2,3-Bis[4-[8-(1-benzofuran-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]butanedinitrile
CID 69157353
2,3-Bis[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]butanedinitrile
CID 69159156
2-[6-[[15-fluoro-4-[2-(4-fluoro-2-methylphenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-13-yl]methyl]-3-pyridinyl]-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 123316711
14-[[9-Methyl-1-[1-[2-[2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]ethyl]quinolin-1-ium-2-yl]carbazol-2-yl]methyl]-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123762706
14-[[4-[1-[2-[2-[2-Methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]ethyl]quinolin-1-ium-2-yl]dibenzofuran-3-yl]methyl]-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123895865
22-Methyl-14-[[9-methyl-1-[1-[2-[2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]ethyl]quinolin-1-ium-2-yl]carbazol-2-yl]methyl]-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123931074
5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139298127
8-Butyl-8',8'-diethyl-4'-(trifluoromethyl)spiro[3-oxa-17,22-diaza-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene-14,7'-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaene]
CID 145671466
22'-Methyl-12-[[2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]methyl]spiro[24-oxa-11-azoniahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene-13,14'-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene]
CID 145671525
6-Tert-butyl-21-[6-tert-butyl-20-[2-(6-tert-butyl-22-oxa-5,7,15-triazahexacyclo[17.2.1.02,18.04,16.05,14.08,13]docosa-1,3,6,8(13),9,11,14,16,18,20-decaen-10-yl)-2-methylpropyl]-1,9,11,19-tetramethyl-22-oxa-5,7,15-triazahexacyclo[17.2.1.02,18.04,16.05,14.08,13]docosa-2,4(16),6,8(13),9,11,14,17-octaen-10-yl]-3,17-difluoro-22-oxa-5,7,15-triazahexacyclo[17.2.1.02,18.04,16.05,14.08,13]docosa-1,3,6,8,10,12,14,16,18,20-decaene
CID 145697892
12-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11-phenylindolo[2,3-a]carbazole
CID 155159488

Frequently Asked Questions

What is the IUPAC name of 5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]carbazole?
The IUPAC name of 5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]carbazole (CID 139484010) is 5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]carbazole.
What is the SMILES notation for 5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]carbazole?
The canonical SMILES for 5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]carbazole is c1ccc(-c2ncc3c4cc(-c5cccc(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ncc9c%10ccccc%10c%10cnc(-c%11ccccc%11)nc%10c9n8)c76)c5)ccc4c4cnc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)nc4c3n2)cc1.
What is the InChIKey of 5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]carbazole?
The InChIKey is FXBZGQQPEKAWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H45N11O/c1-3-18-46(19-4-1)79-83-42-61-51-24-7-8-25-52(51)62-44-85-81(89-75(62)73(61)87-79)92-66-31-14-10-28-58(66)71-68(92)38-36-56-54-26-9-13-30-65(54)91(77(56)71)50-23-17-22-48(40-50)49-34-35-53-60(41-49)64-43-84-80(47-20-5-2-6-21-47)88-74(64)76-63(53)45-86-82(90-76)93-67-32-15-11-29-59(67)72-69(93)39-37-57-55-27-12-16-33-70(55)94-78(57)72/h1-45H.
What are the key properties of 5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]carbazole?
5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]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 5-[17-phenyl-11-[3-[5-(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[3,2-c]carbazol-12-yl]phenyl]-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[3,2-c]carbazole is sourced from PubChem (CID 139484010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).