3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole

C54H34N2O — CID 146187490

IUPAC3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)oc6ccccc67)cc5)ccc43)cc2)cc1
InChIInChI=1S/C54H34N2O/c1-2-10-35(11-3-1)36-22-26-41(27-23-36)55-49-15-7-4-12-43(49)47-32-39(24-30-51(47)55)37-18-20-38(21-19-37)40-25-31-52-48(33-40)44-13-5-8-16-50(44)56(52)42-28-29-46-45-14-6-9-17-53(45)57-54(46)34-42/h1-34H
InChIKeyOHVNOHKQIQAAHX-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.78
Rot. Bonds5

About 3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole

3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole (PubChem CID 146187490) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
PubChem CID146187490
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)oc6ccccc67)cc5)ccc43)cc2)cc1
InChIInChI=1S/C54H34N2O/c1-2-10-35(11-3-1)36-22-26-41(27-23-36)55-49-15-7-4-12-43(49)47-32-39(24-30-51(47)55)37-18-20-38(21-19-37)40-25-31-52-48(33-40)44-13-5-8-16-50(44)56(52)42-28-29-46-45-14-6-9-17-53(45)57-54(46)34-42/h1-34H
InChIKeyOHVNOHKQIQAAHX-UHFFFAOYSA-N
XLogP14.78
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
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
5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 122594976
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
5-dibenzofuran-3-yl-7-[4-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 164847658
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
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-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211
8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole
CID 167243435
5-dibenzofuran-3-yl-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-dibenzofuran-3-yl-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 163829612

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole (CID 146187490) is 3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)oc6ccccc67)cc5)ccc43)cc2)cc1.
What is the InChIKey of 3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole?
The InChIKey is OHVNOHKQIQAAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-2-10-35(11-3-1)36-22-26-41(27-23-36)55-49-15-7-4-12-43(49)47-32-39(24-30-51(47)55)37-18-20-38(21-19-37)40-25-31-52-48(33-40)44-13-5-8-16-50(44)56(52)42-28-29-46-45-14-6-9-17-53(45)57-54(46)34-42/h1-34H.
What are the key properties of 3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole?
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole has a molecular weight of 726.88 g/mol, XLogP of 14.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 146187490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).