7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole

C74H42N6O2 — CID 126632703

IUPAC7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5nc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)nc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)c5c4)ccc32)cc1
InChIInChI=1S/C74H42N6O2/c1-2-16-45(17-3-1)77-61-24-10-4-18-47(61)53-36-43(30-34-65(53)77)44-31-35-66-54(37-44)48-19-5-11-25-62(48)78(66)46-32-33-60-59(38-46)73(79-63-26-12-6-20-49(63)55-39-57-51-22-8-14-28-69(51)81-71(57)41-67(55)79)76-74(75-60)80-64-27-13-7-21-50(64)56-40-58-52-23-9-15-29-70(52)82-72(58)42-68(56)80/h1-42H
InChIKeyRUTHELLDQZKMLQ-UHFFFAOYSA-N
MW1047.19 g/mol
LogP19.48
Rot. Bonds5

About 7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole

7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 126632703) has the molecular formula C74H42N6O2 and a molecular weight of 1047.19 g/mol. Its IUPAC name is 7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID126632703
Molecular FormulaC74H42N6O2
Molecular Weight1047.19 g/mol
Exact Mass1046.34
IUPAC Name7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5nc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)nc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)c5c4)ccc32)cc1
InChIInChI=1S/C74H42N6O2/c1-2-16-45(17-3-1)77-61-24-10-4-18-47(61)53-36-43(30-34-65(53)77)44-31-35-66-54(37-44)48-19-5-11-25-62(48)78(66)46-32-33-60-59(38-46)73(79-63-26-12-6-20-49(63)55-39-57-51-22-8-14-28-69(51)81-71(57)41-67(55)79)76-74(75-60)80-64-27-13-7-21-50(64)56-40-58-52-23-9-15-29-70(52)82-72(58)42-68(56)80/h1-42H
InChIKeyRUTHELLDQZKMLQ-UHFFFAOYSA-N
XLogP19.48
TPSA71.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.19
LogP ≤ 519.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

9-[2,4-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630606
9-[2,4-bis(2-dibenzofuran-3-ylcarbazol-9-yl)quinazolin-6-yl]-2-dibenzofuran-3-ylcarbazole;2-dibenzofuran-3-yl-9-[6-(2-dibenzofuran-3-ylcarbazol-9-yl)-2-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]carbazole;2-dibenzofuran-3-yl-9-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)-6-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 159726483
3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-4-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]quinazolin-2-yl]carbazole
CID 126632410
7-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632893
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole
CID 126631130
3-[9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497222
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632681

Frequently Asked Questions

What is the IUPAC name of 7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole (CID 126632703) is 7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5nc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)nc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)c5c4)ccc32)cc1.
What is the InChIKey of 7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is RUTHELLDQZKMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H42N6O2/c1-2-16-45(17-3-1)77-61-24-10-4-18-47(61)53-36-43(30-34-65(53)77)44-31-35-66-54(37-44)48-19-5-11-25-62(48)78(66)46-32-33-60-59(38-46)73(79-63-26-12-6-20-49(63)55-39-57-51-22-8-14-28-69(51)81-71(57)41-67(55)79)76-74(75-60)80-64-27-13-7-21-50(64)56-40-58-52-23-9-15-29-70(52)82-72(58)42-68(56)80/h1-42H.
What are the key properties of 7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole?
7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 1047.19 g/mol, XLogP of 19.48, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 126632703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).