3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole

C52H32N2O — CID 162489011

IUPAC3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5ccc6ccccc6c5)c5c4oc4ccccc45)ccc32)cc1
InChIInChI=1S/C52H32N2O/c1-2-15-37(16-3-1)53-44-21-9-6-17-40(44)43-32-36(27-29-46(43)53)38-20-12-23-47-50(38)41-18-7-10-22-45(41)54(47)48-30-28-39(35-26-25-33-13-4-5-14-34(33)31-35)51-42-19-8-11-24-49(42)55-52(48)51/h1-32H
InChIKeyKKVMTOAVFFQFCY-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.27
Rot. Bonds4

About 3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole

3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole (PubChem CID 162489011) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole
PubChem CID162489011
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5ccc6ccccc6c5)c5c4oc4ccccc45)ccc32)cc1
InChIInChI=1S/C52H32N2O/c1-2-15-37(16-3-1)53-44-21-9-6-17-40(44)43-32-36(27-29-46(43)53)38-20-12-23-47-50(38)41-18-7-10-22-45(41)54(47)48-30-28-39(35-26-25-33-13-4-5-14-34(33)31-35)51-42-19-8-11-24-49(42)55-52(48)51/h1-32H
InChIKeyKKVMTOAVFFQFCY-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-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole
CID 146490591
3-(9-phenylcarbazol-3-yl)-9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 162489014
9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole
CID 166867094
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;2-[9-(2-phenylphenyl)carbazol-3-yl]-9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazole;2-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 163889924
2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 172512232
4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole
CID 146490407
3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342726
3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole
CID 176777793
9-phenyl-1-[2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-5-[9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazol-2-yl]carbazole
CID 166867085
3-dibenzofuran-1-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-2-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-3-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158822227
3-[9-(6-dibenzofuran-1-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 118534204

Frequently Asked Questions

What is the IUPAC name of 3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole (CID 162489011) is 3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5ccc6ccccc6c5)c5c4oc4ccccc45)ccc32)cc1.
What is the InChIKey of 3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole?
The InChIKey is KKVMTOAVFFQFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-2-15-37(16-3-1)53-44-21-9-6-17-40(44)43-32-36(27-29-46(43)53)38-20-12-23-47-50(38)41-18-7-10-22-45(41)54(47)48-30-28-39(35-26-25-33-13-4-5-14-34(33)31-35)51-42-19-8-11-24-49(42)55-52(48)51/h1-32H.
What are the key properties of 3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole?
3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-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 3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 162489011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).