9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline

C122H81N9 — CID 158699087

IUPAC9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline
SMILESCN(c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1)c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)c1ccccc1n2-c1cc(Cc2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C61H41N5.C61H40N4/c1-62(40-34-42(63-54-26-10-2-18-46(54)47-19-3-11-27-55(47)63)38-43(35-40)64-56-28-12-4-20-48(56)49-21-5-13-29-57(49)64)41-36-44(65-58-30-14-6-22-50(58)51-23-7-15-31-59(51)65)39-45(37-41)66-60-32-16-8-24-52(60)53-25-9-17-33-61(53)66;1-9-25-54-46(17-1)47-18-2-10-26-55(47)62(54)42-34-40(35-43(38-42)63-56-27-11-3-19-48(56)49-20-4-12-28-57(49)63)33-41-36-44(64-58-29-13-5-21-50(58)51-22-6-14-30-59(51)64)39-45(37-41)65-60-31-15-7-23-52(60)53-24-8-16-32-61(53)65/h2-39H,1H3;1-32,34-39H,33H2
InChIKeyIHHREWFCJFYJDH-UHFFFAOYSA-N
MW1673.05 g/mol
LogP31.51
Rot. Bonds12

About 9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline

9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline (PubChem CID 158699087) has the molecular formula C122H81N9 and a molecular weight of 1673.05 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline
PubChem CID158699087
Molecular FormulaC122H81N9
Molecular Weight1673.05 g/mol
Exact Mass1671.66
IUPAC Name9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline
SMILESCN(c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1)c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)c1ccccc1n2-c1cc(Cc2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C61H41N5.C61H40N4/c1-62(40-34-42(63-54-26-10-2-18-46(54)47-19-3-11-27-55(47)63)38-43(35-40)64-56-28-12-4-20-48(56)49-21-5-13-29-57(49)64)41-36-44(65-58-30-14-6-22-50(58)51-23-7-15-31-59(51)65)39-45(37-41)66-60-32-16-8-24-52(60)53-25-9-17-33-61(53)66;1-9-25-54-46(17-1)47-18-2-10-26-55(47)62(54)42-34-40(35-43(38-42)63-56-27-11-3-19-48(56)49-20-4-12-28-57(49)63)33-41-36-44(64-58-29-13-5-21-50(58)51-22-6-14-30-59(51)64)39-45(37-41)65-60-31-15-7-23-52(60)53-24-8-16-32-61(53)65/h2-39H,1H3;1-32,34-39H,33H2
InChIKeyIHHREWFCJFYJDH-UHFFFAOYSA-N
XLogP31.51
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001673.05
LogP ≤ 531.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline with MolForge

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Related Compounds

3-carbazol-9-yl-N-methyl-N-phenylaniline
CID 59211086
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
CID 160506495
(3-carbazol-9-yl-5-methylphenyl)methanamine
CID 153329301
9-(3-carbazol-9-yl-5-prop-2-enylphenyl)carbazole
CID 139517953
N-(3-carbazol-9-ylphenyl)-N-methylnaphthalen-2-amine
CID 58903517
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane
CID 158760792
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
N-methyl-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
CID 58903567
5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 58827958
9-(3-carbazol-9-yl-5-fluorophenyl)carbazole
CID 59399166
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline?
The IUPAC name of 9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline (CID 158699087) is 9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline is CN(c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1)c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)c1ccccc1n2-c1cc(Cc2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline?
The InChIKey is IHHREWFCJFYJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N5.C61H40N4/c1-62(40-34-42(63-54-26-10-2-18-46(54)47-19-3-11-27-55(47)63)38-43(35-40)64-56-28-12-4-20-48(56)49-21-5-13-29-57(49)64)41-36-44(65-58-30-14-6-22-50(58)51-23-7-15-31-59(51)65)39-45(37-41)66-60-32-16-8-24-52(60)53-25-9-17-33-61(53)66;1-9-25-54-46(17-1)47-18-2-10-26-55(47)62(54)42-34-40(35-43(38-42)63-56-27-11-3-19-48(56)49-20-4-12-28-57(49)63)33-41-36-44(64-58-29-13-5-21-50(58)51-22-6-14-30-59(51)64)39-45(37-41)65-60-31-15-7-23-52(60)53-24-8-16-32-61(53)65/h2-39H,1H3;1-32,34-39H,33H2.
What are the key properties of 9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline?
9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline has a molecular weight of 1673.05 g/mol, XLogP of 31.51, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[[3,5-di(carbazol-9-yl)phenyl]methyl]phenyl]carbazole;3,5-di(carbazol-9-yl)-N-[3,5-di(carbazol-9-yl)phenyl]-N-methylaniline is sourced from PubChem (CID 158699087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).