7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole

C66H41N3O2 — CID 145140853

IUPAC7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole
SMILESC1=C2c3ccccc3OC2Cc2c1c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)oc5ccccc57)ccc3n4-c3ccccc3)ccc1n2-c1ccccc1
InChIInChI=1S/C66H41N3O2/c1-4-14-44(15-5-1)67-57-28-24-40(42-26-30-59-51(34-42)53-36-55-47-20-10-12-22-63(47)70-65(55)38-61(53)68(59)45-16-6-2-7-17-45)32-49(57)50-33-41(25-29-58(50)67)43-27-31-60-52(35-43)54-37-56-48-21-11-13-23-64(48)71-66(56)39-62(54)69(60)46-18-8-3-9-19-46/h1-38,66H,39H2
InChIKeyUXCZFFLOPCJMGX-UHFFFAOYSA-N
MW908.07 g/mol
LogP16.92
Rot. Bonds5

About 7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole

7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 145140853) has the molecular formula C66H41N3O2 and a molecular weight of 908.07 g/mol. Its IUPAC name is 7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID145140853
Molecular FormulaC66H41N3O2
Molecular Weight908.07 g/mol
Exact Mass907.32
IUPAC Name7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole
SMILESC1=C2c3ccccc3OC2Cc2c1c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)oc5ccccc57)ccc3n4-c3ccccc3)ccc1n2-c1ccccc1
InChIInChI=1S/C66H41N3O2/c1-4-14-44(15-5-1)67-57-28-24-40(42-26-30-59-51(34-42)53-36-55-47-20-10-12-22-63(47)70-65(55)38-61(53)68(59)45-16-6-2-7-17-45)32-49(57)50-33-41(25-29-58(50)67)43-27-31-60-52(35-43)54-37-56-48-21-11-13-23-64(48)71-66(56)39-62(54)69(60)46-18-8-3-9-19-46/h1-38,66H,39H2
InChIKeyUXCZFFLOPCJMGX-UHFFFAOYSA-N
XLogP16.92
TPSA37.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.07
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336
2-methyl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223454
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
10-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 121386084
2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223413
7-fluoranthen-3-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223614
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 134223333
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223345

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole (CID 145140853) is 7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole is C1=C2c3ccccc3OC2Cc2c1c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)oc5ccccc57)ccc3n4-c3ccccc3)ccc1n2-c1ccccc1.
What is the InChIKey of 7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is UXCZFFLOPCJMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N3O2/c1-4-14-44(15-5-1)67-57-28-24-40(42-26-30-59-51(34-42)53-36-55-47-20-10-12-22-63(47)70-65(55)38-61(53)68(59)45-16-6-2-7-17-45)32-49(57)50-33-41(25-29-58(50)67)43-27-31-60-52(35-43)54-37-56-48-21-11-13-23-64(48)71-66(56)39-62(54)69(60)46-18-8-3-9-19-46/h1-38,66H,39H2.
What are the key properties of 7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole?
7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 908.07 g/mol, XLogP of 16.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 145140853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).