2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole

C53H36N2O — CID 163591718

IUPAC2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESCC1CC=Cc2oc3cccc(-c4ccc5c(-n6c7ccccc7c7cc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)ccc76)cccc5c4)c3c21
InChIInChI=1S/C53H36N2O/c1-33-12-9-22-50-52(33)53-40(18-11-23-51(53)56-50)37-25-27-39-36(30-37)13-10-21-45(39)55-47-20-8-6-17-42(47)44-31-34(26-29-48(44)55)35-24-28-43-41-16-5-7-19-46(41)54(49(43)32-35)38-14-3-2-4-15-38/h2-11,13-33H,12H2,1H3
InChIKeyGQBALRHCVDWTSY-UHFFFAOYSA-N
MW716.88 g/mol
LogP14.63
Rot. Bonds4

About 2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole

2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 163591718) has the molecular formula C53H36N2O and a molecular weight of 716.88 g/mol. Its IUPAC name is 2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID163591718
Molecular FormulaC53H36N2O
Molecular Weight716.88 g/mol
Exact Mass716.28
IUPAC Name2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESCC1CC=Cc2oc3cccc(-c4ccc5c(-n6c7ccccc7c7cc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)ccc76)cccc5c4)c3c21
InChIInChI=1S/C53H36N2O/c1-33-12-9-22-50-52(33)53-40(18-11-23-51(53)56-50)37-25-27-39-36(30-37)13-10-21-45(39)55-47-20-8-6-17-42(47)44-31-34(26-29-48(44)55)35-24-28-43-41-16-5-7-19-46(41)54(49(43)32-35)38-14-3-2-4-15-38/h2-11,13-33H,12H2,1H3
InChIKeyGQBALRHCVDWTSY-UHFFFAOYSA-N
XLogP14.63
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.88
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(6-dibenzofuran-1-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 118534204
3-[9-(3-dibenzofuran-1-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753308
2-[9-(6-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753605
3-[9-[4-(9-methyl-8,9-dihydrodibenzothiophen-1-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 118534441
11-[4-(9-methyl-8,9-dihydrodibenzofuran-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 142614818
3,6-dinaphthalen-1-yl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]carbazole;9-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-3,6-diphenylcarbazole
CID 159018635
3-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753266
3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753408
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-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764137
9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole
CID 134369784
3-[9-[5-methyl-4-(4-naphthalen-1-ylphenyl)-5,6-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 139472667

Frequently Asked Questions

What is the IUPAC name of 2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole (CID 163591718) is 2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole is CC1CC=Cc2oc3cccc(-c4ccc5c(-n6c7ccccc7c7cc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)ccc76)cccc5c4)c3c21.
What is the InChIKey of 2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is GQBALRHCVDWTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2O/c1-33-12-9-22-50-52(33)53-40(18-11-23-51(53)56-50)37-25-27-39-36(30-37)13-10-21-45(39)55-47-20-8-6-17-42(47)44-31-34(26-29-48(44)55)35-24-28-43-41-16-5-7-19-46(41)54(49(43)32-35)38-14-3-2-4-15-38/h2-11,13-33H,12H2,1H3.
What are the key properties of 2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole?
2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 716.88 g/mol, XLogP of 14.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[6-(9-methyl-8,9-dihydrodibenzofuran-1-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 163591718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).