3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole

C52H34N2O — CID 167200302

IUPAC3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESC1=CCC2C(=C1)Oc1cc(-c3ccc4ccccc4c3)cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)c12
InChIInChI=1S/C52H34N2O/c1-2-14-39(15-3-1)53-45-19-9-7-17-41(45)44-29-36(25-27-47(44)53)37-24-26-42-40-16-6-10-20-46(40)54(48(42)30-37)49-31-38(35-23-22-33-12-4-5-13-34(33)28-35)32-51-52(49)43-18-8-11-21-50(43)55-51/h1-17,19-32,43H,18H2
InChIKeyPSYUXMDBJRYGKB-UHFFFAOYSA-N
MW702.86 g/mol
LogP13.69
Rot. Bonds4

About 3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole

3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 167200302) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is 3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole
PubChem CID167200302
Molecular FormulaC52H34N2O
Molecular Weight702.86 g/mol
Exact Mass702.27
IUPAC Name3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESC1=CCC2C(=C1)Oc1cc(-c3ccc4ccccc4c3)cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)c12
InChIInChI=1S/C52H34N2O/c1-2-14-39(15-3-1)53-45-19-9-7-17-41(45)44-29-36(25-27-47(44)53)37-24-26-42-40-16-6-10-20-46(40)54(48(42)30-37)49-31-38(35-23-22-33-12-4-5-13-34(33)28-35)32-51-52(49)43-18-8-11-21-50(43)55-51/h1-17,19-32,43H,18H2
InChIKeyPSYUXMDBJRYGKB-UHFFFAOYSA-N
XLogP13.69
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 170244502
2-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;2-(9-phenanthren-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-2-yl)-9-phenylcarbazole
CID 165003485
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
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420566
3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118534493
3-[9-[3,5-bis(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-dimethylphenyl)carbazol-2-yl]-9-(3,5-diphenylphenyl)carbazole;2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159304245
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole (CID 167200302) is 3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole is C1=CCC2C(=C1)Oc1cc(-c3ccc4ccccc4c3)cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)c12.
What is the InChIKey of 3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is PSYUXMDBJRYGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-14-39(15-3-1)53-45-19-9-7-17-41(45)44-29-36(25-27-47(44)53)37-24-26-42-40-16-6-10-20-46(40)54(48(42)30-37)49-31-38(35-23-22-33-12-4-5-13-34(33)28-35)32-51-52(49)43-18-8-11-21-50(43)55-51/h1-17,19-32,43H,18H2.
What are the key properties of 3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole?
3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 702.86 g/mol, XLogP of 13.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-naphthalen-2-yl-9,9a-dihydrodibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 167200302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).