4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole

C49H33N3O — CID 146670090

IUPAC4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole
SMILESC1=Cc2c(c3ccccc3n2-c2cc(-c3cc(-c4ccccc4)cc4oc(-c5ccccc5)nc34)cc(-n3c4ccccc4c4ccccc43)c2)CC1
InChIInChI=1S/C49H33N3O/c1-3-15-32(16-4-1)34-29-42(48-47(30-34)53-49(50-48)33-17-5-2-6-18-33)35-27-36(51-43-23-11-7-19-38(43)39-20-8-12-24-44(39)51)31-37(28-35)52-45-25-13-9-21-40(45)41-22-10-14-26-46(41)52/h1-9,11-21,23-31H,10,22H2
InChIKeyIZRNGGRFAVCMOK-UHFFFAOYSA-N
MW679.82 g/mol
LogP12.83
Rot. Bonds5

About 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole

4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole (PubChem CID 146670090) has the molecular formula C49H33N3O and a molecular weight of 679.82 g/mol. Its IUPAC name is 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole.

Molecular Properties

Compound Name4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole
PubChem CID146670090
Molecular FormulaC49H33N3O
Molecular Weight679.82 g/mol
Exact Mass679.26
IUPAC Name4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole
SMILESC1=Cc2c(c3ccccc3n2-c2cc(-c3cc(-c4ccccc4)cc4oc(-c5ccccc5)nc34)cc(-n3c4ccccc4c4ccccc43)c2)CC1
InChIInChI=1S/C49H33N3O/c1-3-15-32(16-4-1)34-29-42(48-47(30-34)53-49(50-48)33-17-5-2-6-18-33)35-27-36(51-43-23-11-7-19-38(43)39-20-8-12-24-44(39)51)31-37(28-35)52-45-25-13-9-21-40(45)41-22-10-14-26-46(41)52/h1-9,11-21,23-31H,10,22H2
InChIKeyIZRNGGRFAVCMOK-UHFFFAOYSA-N
XLogP12.83
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]-4,6-diphenyl-1,3-benzoxazole
CID 137473457
2-[3,4-di(carbazol-9-yl)phenyl]-4,6-diphenyl-1,3-benzoxazole
CID 137473426
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 174291367
2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole
CID 143952697
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
11-phenyl-12-[3-[3-(12-phenyl-7,8-dihydroindolo[2,3-a]carbazol-11-yl)-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 88912475
4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 70884353
2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole
CID 138565327
9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole
CID 71135736
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449

Frequently Asked Questions

What is the IUPAC name of 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole?
The IUPAC name of 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole (CID 146670090) is 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole.
What is the SMILES notation for 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole?
The canonical SMILES for 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole is C1=Cc2c(c3ccccc3n2-c2cc(-c3cc(-c4ccccc4)cc4oc(-c5ccccc5)nc34)cc(-n3c4ccccc4c4ccccc43)c2)CC1.
What is the InChIKey of 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole?
The InChIKey is IZRNGGRFAVCMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O/c1-3-15-32(16-4-1)34-29-42(48-47(30-34)53-49(50-48)33-17-5-2-6-18-33)35-27-36(51-43-23-11-7-19-38(43)39-20-8-12-24-44(39)51)31-37(28-35)52-45-25-13-9-21-40(45)41-22-10-14-26-46(41)52/h1-9,11-21,23-31H,10,22H2.
What are the key properties of 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole?
4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole has a molecular weight of 679.82 g/mol, XLogP of 12.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole is sourced from PubChem (CID 146670090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).