3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole

C64H54N2 — CID 134172961

IUPAC3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole
SMILESCCC1Cc2ccc(CC(c3ccccc3)c3ccc4c(c3)c3cc(CC(c5ccccc5)c5ccc6c(c5)c5ccccc5n6CC)ccc3n4-c3ccccc3)cc2-c2ccccc21
InChIInChI=1S/C64H54N2/c1-3-45-40-48-30-28-43(38-57(48)53-25-15-14-24-52(45)53)36-55(46-18-8-5-9-19-46)50-32-35-64-60(42-50)58-39-44(29-33-63(58)66(64)51-22-12-7-13-23-51)37-56(47-20-10-6-11-21-47)49-31-34-62-59(41-49)54-26-16-17-27-61(54)65(62)4-2/h5-35,38-39,41-42,45,55-56H,3-4,36-37,40H2,1-2H3
InChIKeyRRNXJVPYMCWKHK-UHFFFAOYSA-N
MW851.15 g/mol
LogP16.38
Rot. Bonds11

About 3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole

3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole (PubChem CID 134172961) has the molecular formula C64H54N2 and a molecular weight of 851.15 g/mol. Its IUPAC name is 3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole
PubChem CID134172961
Molecular FormulaC64H54N2
Molecular Weight851.15 g/mol
Exact Mass850.43
IUPAC Name3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole
SMILESCCC1Cc2ccc(CC(c3ccccc3)c3ccc4c(c3)c3cc(CC(c5ccccc5)c5ccc6c(c5)c5ccccc5n6CC)ccc3n4-c3ccccc3)cc2-c2ccccc21
InChIInChI=1S/C64H54N2/c1-3-45-40-48-30-28-43(38-57(48)53-25-15-14-24-52(45)53)36-55(46-18-8-5-9-19-46)50-32-35-64-60(42-50)58-39-44(29-33-63(58)66(64)51-22-12-7-13-23-51)37-56(47-20-10-6-11-21-47)49-31-34-62-59(41-49)54-26-16-17-27-61(54)65(62)4-2/h5-35,38-39,41-42,45,55-56H,3-4,36-37,40H2,1-2H3
InChIKeyRRNXJVPYMCWKHK-UHFFFAOYSA-N
XLogP16.38
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.15
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-ethylcarbazole;bis(3-ethyl-9H-fluorene);9-phenylcarbazole
CID 91120993
7-ethyl-5-phenylindolo[2,3-b]carbazole
CID 139441502
3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole
CID 167289448
2-[2-(9,9-dimethylfluoren-2-yl)-2-phenylethyl]-6,6-dimethyl-5-phenylindeno[2,1-b]indole
CID 144960569
3-butan-2-yl-9-phenylcarbazole
CID 23520668
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
9-[4-[4-[2-(9,10-dihydrophenanthren-9-yl)ethyl]-2-methylphenyl]-3-methylphenyl]carbazole
CID 163928364
(R)-cyclopropyl-(9-ethylcarbazol-3-yl)methanamine
CID 171213067
3-butan-2-yl-9-ethylcarbazole
CID 23520664
9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole
CID 2058524
5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole
CID 118013993
9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole
CID 14093933

Frequently Asked Questions

What is the IUPAC name of 3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole?
The IUPAC name of 3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole (CID 134172961) is 3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole is CCC1Cc2ccc(CC(c3ccccc3)c3ccc4c(c3)c3cc(CC(c5ccccc5)c5ccc6c(c5)c5ccccc5n6CC)ccc3n4-c3ccccc3)cc2-c2ccccc21.
What is the InChIKey of 3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole?
The InChIKey is RRNXJVPYMCWKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H54N2/c1-3-45-40-48-30-28-43(38-57(48)53-25-15-14-24-52(45)53)36-55(46-18-8-5-9-19-46)50-32-35-64-60(42-50)58-39-44(29-33-63(58)66(64)51-22-12-7-13-23-51)37-56(47-20-10-6-11-21-47)49-31-34-62-59(41-49)54-26-16-17-27-61(54)65(62)4-2/h5-35,38-39,41-42,45,55-56H,3-4,36-37,40H2,1-2H3.
What are the key properties of 3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole?
3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole has a molecular weight of 851.15 g/mol, XLogP of 16.38, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(9-ethylcarbazol-3-yl)-2-phenylethyl]-6-[2-(9-ethyl-9,10-dihydrophenanthren-3-yl)-1-phenylethyl]-9-phenylcarbazole is sourced from PubChem (CID 134172961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).