(3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine

C60H53N3 — CID 170780015

IUPAC(3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
SMILESCc1cccc2c1c1cc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)[C@]3(CCc5ccc(N(c6ccccc6)c6ccccc6)cc53)CC4)ccc1n2-c1ccccc1
InChIInChI=1S/C60H53N3/c1-42-15-14-24-58-59(42)54-39-51(33-34-57(54)63(58)49-22-12-5-13-23-49)62(50-29-25-44(26-30-50)43-16-6-2-7-17-43)53-32-28-46-36-38-60(56(46)41-53)37-35-45-27-31-52(40-55(45)60)61(47-18-8-3-9-19-47)48-20-10-4-11-21-48/h3-5,8-15,18-34,39-41,43H,2,6-7,16-17,35-38H2,1H3/t60-/m1/s1
InChIKeyAJJMYJRAFWEUFU-AKAJXFOGSA-N
MW816.11 g/mol
LogP16.26
Rot. Bonds8

About (3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine

(3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine (PubChem CID 170780015) has the molecular formula C60H53N3 and a molecular weight of 816.11 g/mol. Its IUPAC name is (3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine.

Molecular Properties

Compound Name(3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
PubChem CID170780015
Molecular FormulaC60H53N3
Molecular Weight816.11 g/mol
Exact Mass815.42
IUPAC Name(3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
SMILESCc1cccc2c1c1cc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)[C@]3(CCc5ccc(N(c6ccccc6)c6ccccc6)cc53)CC4)ccc1n2-c1ccccc1
InChIInChI=1S/C60H53N3/c1-42-15-14-24-58-59(42)54-39-51(33-34-57(54)63(58)49-22-12-5-13-23-49)62(50-29-25-44(26-30-50)43-16-6-2-7-17-43)53-32-28-46-36-38-60(56(46)41-53)37-35-45-27-31-52(40-55(45)60)61(47-18-8-3-9-19-47)48-20-10-4-11-21-48/h3-5,8-15,18-34,39-41,43H,2,6-7,16-17,35-38H2,1H3/t60-/m1/s1
InChIKeyAJJMYJRAFWEUFU-AKAJXFOGSA-N
XLogP16.26
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.11
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine with MolForge

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Related Compounds

N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810687
N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-2,5-diphenylindeno[1,2-c]carbazol-10-amine
CID 170543277
3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline
CID 164939404
3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine
CID 177275872
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810248
(3R)-5-N'-(4-cyclohexylphenyl)-5-N'-dibenzofuran-2-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780246
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
CID 168810665
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 168810700
7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 164948696
N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazol-2-amine
CID 170543002
(3R)-5-N,5-N,5-N'-triphenyl-5-N'-(9-phenyl-3-propan-2-ylcarbazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780276
N,N-bis(4-cyclohexylphenyl)-12,12-dimethyl-5,8,11-triphenylindeno[2,1-a]carbazol-2-amine
CID 170543205

Frequently Asked Questions

What is the IUPAC name of (3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
The IUPAC name of (3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine (CID 170780015) is (3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine.
What is the SMILES notation for (3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
The canonical SMILES for (3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine is Cc1cccc2c1c1cc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)[C@]3(CCc5ccc(N(c6ccccc6)c6ccccc6)cc53)CC4)ccc1n2-c1ccccc1.
What is the InChIKey of (3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
The InChIKey is AJJMYJRAFWEUFU-AKAJXFOGSA-N. The full InChI is InChI=1S/C60H53N3/c1-42-15-14-24-58-59(42)54-39-51(33-34-57(54)63(58)49-22-12-5-13-23-49)62(50-29-25-44(26-30-50)43-16-6-2-7-17-43)53-32-28-46-36-38-60(56(46)41-53)37-35-45-27-31-52(40-55(45)60)61(47-18-8-3-9-19-47)48-20-10-4-11-21-48/h3-5,8-15,18-34,39-41,43H,2,6-7,16-17,35-38H2,1H3/t60-/m1/s1.
What are the key properties of (3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
(3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine has a molecular weight of 816.11 g/mol, XLogP of 16.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine is sourced from PubChem (CID 170780015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).