7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole

C46H34N2O — CID 167259971

IUPAC7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole
SMILESCC(C)(C)c1ccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)ccc43)cc2)cc1
InChIInChI=1S/C46H34N2O/c1-46(2,3)31-20-16-29(17-21-31)30-18-22-32(23-19-30)47-40-13-7-4-10-34(40)37-26-33(24-25-42(37)47)48-41-14-8-5-11-35(41)38-27-39-36-12-6-9-15-44(36)49-45(39)28-43(38)48/h4-28H,1-3H3
InChIKeyWEYMZPDGWPFHNX-UHFFFAOYSA-N
MW630.79 g/mol
LogP12.74
Rot. Bonds3

About 7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole

7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 167259971) has the molecular formula C46H34N2O and a molecular weight of 630.79 g/mol. Its IUPAC name is 7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID167259971
Molecular FormulaC46H34N2O
Molecular Weight630.79 g/mol
Exact Mass630.27
IUPAC Name7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole
SMILESCC(C)(C)c1ccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)ccc43)cc2)cc1
InChIInChI=1S/C46H34N2O/c1-46(2,3)31-20-16-29(17-21-31)30-18-22-32(23-19-30)47-40-13-7-4-10-34(40)37-26-33(24-25-42(37)47)48-41-14-8-5-11-35(41)38-27-39-36-12-6-9-15-44(36)49-45(39)28-43(38)48/h4-28H,1-3H3
InChIKeyWEYMZPDGWPFHNX-UHFFFAOYSA-N
XLogP12.74
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
12-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 167259628
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 122594976
7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
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
11-dibenzofuran-2-yl-5-[4-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 171414707
5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole
CID 167260203

Frequently Asked Questions

What is the IUPAC name of 7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole (CID 167259971) is 7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole is CC(C)(C)c1ccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)ccc43)cc2)cc1.
What is the InChIKey of 7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is WEYMZPDGWPFHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2O/c1-46(2,3)31-20-16-29(17-21-31)30-18-22-32(23-19-30)47-40-13-7-4-10-34(40)37-26-33(24-25-42(37)47)48-41-14-8-5-11-35(41)38-27-39-36-12-6-9-15-44(36)49-45(39)28-43(38)48/h4-28H,1-3H3.
What are the key properties of 7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole?
7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 630.79 g/mol, XLogP of 12.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 167259971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).