3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole

C105H66N4 — CID 158198948

IUPAC3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole
SMILES[2H]C([2H])([2H])c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc32)cc1.[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc32)c([2H])c1[2H]
InChIInChI=1S/C53H34N2.C52H32N2/c1-33-20-24-37(25-21-33)54-49-18-6-4-14-42(49)47-31-34(22-28-51(47)54)35-23-29-52-48(32-35)43-15-5-7-19-50(43)55(52)38-11-8-10-36(30-38)39-26-27-46-41-13-3-2-12-40(41)45-17-9-16-44(39)53(45)46;1-2-13-36(14-3-1)53-48-22-8-6-18-41(48)46-31-33(24-28-50(46)53)34-25-29-51-47(32-34)42-19-7-9-23-49(42)54(51)37-15-10-12-35(30-37)38-26-27-45-40-17-5-4-16-39(40)44-21-11-20-43(38)52(44)45/h2-32H,1H3;1-32H/i1D3;1D,2D,3D,13D,14D
InChIKeyGARRJVZMRUVONI-YAZGVLAJSA-N
MW1391.76 g/mol
LogP28.34
Rot. Bonds9

About 3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole

3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole (PubChem CID 158198948) has the molecular formula C105H66N4 and a molecular weight of 1391.76 g/mol. Its IUPAC name is 3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole.

Molecular Properties

Compound Name3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole
PubChem CID158198948
Molecular FormulaC105H66N4
Molecular Weight1391.76 g/mol
Exact Mass1390.58
IUPAC Name3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole
SMILES[2H]C([2H])([2H])c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc32)cc1.[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc32)c([2H])c1[2H]
InChIInChI=1S/C53H34N2.C52H32N2/c1-33-20-24-37(25-21-33)54-49-18-6-4-14-42(49)47-31-34(22-28-51(47)54)35-23-29-52-48(32-35)43-15-5-7-19-50(43)55(52)38-11-8-10-36(30-38)39-26-27-46-41-13-3-2-12-40(41)45-17-9-16-44(39)53(45)46;1-2-13-36(14-3-1)53-48-22-8-6-18-41(48)46-31-33(24-28-50(46)53)34-25-29-51-47(32-34)42-19-7-9-23-49(42)54(51)37-15-10-12-35(30-37)38-26-27-45-40-17-5-4-16-39(40)44-21-11-20-43(38)52(44)45/h2-32H,1H3;1-32H/i1D3;1D,2D,3D,13D,14D
InChIKeyGARRJVZMRUVONI-YAZGVLAJSA-N
XLogP28.34
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001391.76
LogP ≤ 528.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole with MolForge

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Related Compounds

3-fluoranthen-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-fluoranthen-3-yl-9-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)carbazole;3-fluoranthen-3-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole;3-fluoranthen-3-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 158417645
6-[9-(4-fluoranthen-3-ylphenyl)carbazol-3-yl]-2-[9-(3-fluoranthen-3-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420632
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
CID 71291318
3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 164756668
3-[4-[12-(2,3,4,5,6-pentadeuteriophenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl]phenyl]-9-phenylcarbazole
CID 177127166
3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 164976427
11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304405
3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 158212129
3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole
CID 177077405
9-(2,3,4,5,6-pentadeuteriophenyl)-3-(4-phenylcarbazol-9-yl)carbazole
CID 171458755
9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole
CID 122434651

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole?
The IUPAC name of 3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole (CID 158198948) is 3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole.
What is the SMILES notation for 3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole?
The canonical SMILES for 3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole is [2H]C([2H])([2H])c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc32)cc1.[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc32)c([2H])c1[2H].
What is the InChIKey of 3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole?
The InChIKey is GARRJVZMRUVONI-YAZGVLAJSA-N. The full InChI is InChI=1S/C53H34N2.C52H32N2/c1-33-20-24-37(25-21-33)54-49-18-6-4-14-42(49)47-31-34(22-28-51(47)54)35-23-29-52-48(32-35)43-15-5-7-19-50(43)55(52)38-11-8-10-36(30-38)39-26-27-46-41-13-3-2-12-40(41)45-17-9-16-44(39)53(45)46;1-2-13-36(14-3-1)53-48-22-8-6-18-41(48)46-31-33(24-28-50(46)53)34-25-29-51-47(32-34)42-19-7-9-23-49(42)54(51)37-15-10-12-35(30-37)38-26-27-45-40-17-5-4-16-39(40)44-21-11-20-43(38)52(44)45/h2-32H,1H3;1-32H/i1D3;1D,2D,3D,13D,14D.
What are the key properties of 3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole?
3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole has a molecular weight of 1391.76 g/mol, XLogP of 28.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole is sourced from PubChem (CID 158198948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).