2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole

C52H32N2O — CID 172512232

IUPAC2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8ccccc8c7)c7oc8ccccc8c67)c5c4)cc32)cc1
InChIInChI=1S/C52H32N2O/c1-2-14-38(15-3-1)53-45-19-9-6-16-40(45)42-26-24-35(31-48(42)53)36-25-27-43-41-17-7-10-20-46(41)54(49(43)32-36)47-29-28-39(37-23-22-33-12-4-5-13-34(33)30-37)52-51(47)44-18-8-11-21-50(44)55-52/h1-32H
InChIKeyYEPFBOFLBTYNCC-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.27
Rot. Bonds4

About 2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole

2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 172512232) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole
PubChem CID172512232
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8ccccc8c7)c7oc8ccccc8c67)c5c4)cc32)cc1
InChIInChI=1S/C52H32N2O/c1-2-14-38(15-3-1)53-45-19-9-6-16-40(45)42-26-24-35(31-48(42)53)36-25-27-43-41-17-7-10-20-46(41)54(49(43)32-36)47-29-28-39(37-23-22-33-12-4-5-13-34(33)30-37)52-51(47)44-18-8-11-21-50(44)55-52/h1-32H
InChIKeyYEPFBOFLBTYNCC-UHFFFAOYSA-N
XLogP14.27
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.84
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-phenylcarbazol-2-yl)-9-(4-phenyldibenzofuran-1-yl)carbazole
CID 167200371
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167200305
3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole
CID 162489011
2-[9-(6-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753605
2-[9-(6-dibenzofuran-1-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753215
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 126682058
11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole
CID 164847979
3-[9-(6-dibenzofuran-1-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 118534204
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252386
6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420798
2-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342501

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole (CID 172512232) is 2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8ccccc8c7)c7oc8ccccc8c67)c5c4)cc32)cc1.
What is the InChIKey of 2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is YEPFBOFLBTYNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-2-14-38(15-3-1)53-45-19-9-6-16-40(45)42-26-24-35(31-48(42)53)36-25-27-43-41-17-7-10-20-46(41)54(49(43)32-36)47-29-28-39(37-23-22-33-12-4-5-13-34(33)30-37)52-51(47)44-18-8-11-21-50(44)55-52/h1-32H.
What are the key properties of 2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole?
2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 700.84 g/mol, XLogP of 14.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 172512232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).