10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole

C64H39N3OS — CID 139421222

IUPAC10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccc(-c5cccc6oc7ccc(-c8cccc9c8-c8ccccc8C(c8ccccc8)C9)cc7c56)cc4c4cc5c(cc43)sc3ccccc35)nc3ccccc23)cc1
InChIInChI=1S/C64H39N3OS/c1-3-15-38(16-4-1)49-35-42-19-13-24-43(61(42)47-22-8-7-20-45(47)49)41-30-32-57-53(34-41)62-44(25-14-27-58(62)68-57)40-29-31-55-50(33-40)51-36-52-46-21-10-12-28-59(46)69-60(52)37-56(51)67(55)64-65-54-26-11-9-23-48(54)63(66-64)39-17-5-2-6-18-39/h1-34,36-37,49H,35H2
InChIKeyQANIXTVXQAAKRH-UHFFFAOYSA-N
MW898.10 g/mol
LogP17.35
Rot. Bonds5

About 10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole

10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole (PubChem CID 139421222) has the molecular formula C64H39N3OS and a molecular weight of 898.10 g/mol. Its IUPAC name is 10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
PubChem CID139421222
Molecular FormulaC64H39N3OS
Molecular Weight898.10 g/mol
Exact Mass897.28
IUPAC Name10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccc(-c5cccc6oc7ccc(-c8cccc9c8-c8ccccc8C(c8ccccc8)C9)cc7c56)cc4c4cc5c(cc43)sc3ccccc35)nc3ccccc23)cc1
InChIInChI=1S/C64H39N3OS/c1-3-15-38(16-4-1)49-35-42-19-13-24-43(61(42)47-22-8-7-20-45(47)49)41-30-32-57-53(34-41)62-44(25-14-27-58(62)68-57)40-29-31-55-50(33-40)51-36-52-46-21-10-12-28-59(46)69-60(52)37-56(51)67(55)64-65-54-26-11-9-23-48(54)63(66-64)39-17-5-2-6-18-39/h1-34,36-37,49H,35H2
InChIKeyQANIXTVXQAAKRH-UHFFFAOYSA-N
XLogP17.35
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.10
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole with MolForge

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Related Compounds

10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 138475168
7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129254561
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166953299
20-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-phenyl-20-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 159718900
6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane
CID 142569321
1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568439
1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568323
18-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 138475063
3-[9-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 138475093
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333587
15-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 126702033

Frequently Asked Questions

What is the IUPAC name of 10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole (CID 139421222) is 10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole is c1ccc(-c2nc(-n3c4ccc(-c5cccc6oc7ccc(-c8cccc9c8-c8ccccc8C(c8ccccc8)C9)cc7c56)cc4c4cc5c(cc43)sc3ccccc35)nc3ccccc23)cc1.
What is the InChIKey of 10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is QANIXTVXQAAKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N3OS/c1-3-15-38(16-4-1)49-35-42-19-13-24-43(61(42)47-22-8-7-20-45(47)49)41-30-32-57-53(34-41)62-44(25-14-27-58(62)68-57)40-29-31-55-50(33-40)51-36-52-46-21-10-12-28-59(46)69-60(52)37-56(51)67(55)64-65-54-26-11-9-23-48(54)63(66-64)39-17-5-2-6-18-39/h1-34,36-37,49H,35H2.
What are the key properties of 10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole?
10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 898.10 g/mol, XLogP of 17.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[8-(9-phenyl-9,10-dihydrophenanthren-4-yl)dibenzofuran-1-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 139421222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).