5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole

C86H53N5O — CID 146215678

IUPAC5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8nc(-c9ccccc9)c9ccccc9n8)ccc76)c5)c4)c3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1
InChIInChI=1S/C86H53N5O/c1-3-20-54(21-4-1)63-48-64(51-66(50-63)90-78-38-15-10-34-72(78)83-81(90)45-42-70-69-32-11-16-39-82(69)92-85(70)83)59-27-18-25-57(47-59)56-24-17-26-58(46-56)60-28-19-29-65(49-60)89-76-36-13-8-30-67(76)73-52-61(40-43-79(73)89)62-41-44-80-74(53-62)68-31-9-14-37-77(68)91(80)86-87-75-35-12-7-33-71(75)84(88-86)55-22-5-2-6-23-55/h1-53H
InChIKeyJDNZSEJPTWGKFX-UHFFFAOYSA-N
MW1172.40 g/mol
LogP22.82
Rot. Bonds9

About 5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole

5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 146215678) has the molecular formula C86H53N5O and a molecular weight of 1172.40 g/mol. Its IUPAC name is 5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID146215678
Molecular FormulaC86H53N5O
Molecular Weight1172.40 g/mol
Exact Mass1171.43
IUPAC Name5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8nc(-c9ccccc9)c9ccccc9n8)ccc76)c5)c4)c3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1
InChIInChI=1S/C86H53N5O/c1-3-20-54(21-4-1)63-48-64(51-66(50-63)90-78-38-15-10-34-72(78)83-81(90)45-42-70-69-32-11-16-39-82(69)92-85(70)83)59-27-18-25-57(47-59)56-24-17-26-58(46-56)60-28-19-29-65(49-60)89-76-36-13-8-30-67(76)73-52-61(40-43-79(73)89)62-41-44-80-74(53-62)68-31-9-14-37-77(68)91(80)86-87-75-35-12-7-33-71(75)84(88-86)55-22-5-2-6-23-55/h1-53H
InChIKeyJDNZSEJPTWGKFX-UHFFFAOYSA-N
XLogP22.82
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001172.40
LogP ≤ 522.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

3-phenyl-5-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 118283324
18-[4-[3-[6-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]quinazolin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 146615811
3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 90050449
3-dibenzofuran-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 158611861
2-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-dibenzofuran-4-yl-9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 159982743
14-(4-dibenzofuran-3-ylquinazolin-2-yl)-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165797
3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 90129291
15-(3-phenylphenyl)-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 126679387
15-(4-phenylphenyl)-24-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678353
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
5-[3-(9-phenylcarbazol-3-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-[4-(9-phenylcarbazol-3-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;6-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 159057836
5-(4-phenylquinazolin-2-yl)-3-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 118283315

Frequently Asked Questions

What is the IUPAC name of 5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 146215678) is 5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8nc(-c9ccccc9)c9ccccc9n8)ccc76)c5)c4)c3)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc1.
What is the InChIKey of 5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is JDNZSEJPTWGKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H53N5O/c1-3-20-54(21-4-1)63-48-64(51-66(50-63)90-78-38-15-10-34-72(78)83-81(90)45-42-70-69-32-11-16-39-82(69)92-85(70)83)59-27-18-25-57(47-59)56-24-17-26-58(46-56)60-28-19-29-65(49-60)89-76-36-13-8-30-67(76)73-52-61(40-43-79(73)89)62-41-44-80-74(53-62)68-31-9-14-37-77(68)91(80)86-87-75-35-12-7-33-71(75)84(88-86)55-22-5-2-6-23-55/h1-53H.
What are the key properties of 5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1172.40 g/mol, XLogP of 22.82, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 146215678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).