N,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline

C48H30N4 — CID 163673219

IUPACN,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4cccc5c4c4c3cccc4n3c4ccccc4c4cc6c7ccccc7n5c6cc43)cc2)cc1
InChIInChI=1S/C48H30N4/c1-3-13-31(14-4-1)49(32-15-5-2-6-16-32)33-25-27-34(28-26-33)50-41-21-11-23-43-47(41)48-42(50)22-12-24-44(48)52-40-20-10-8-18-36(40)38-29-37-35-17-7-9-19-39(35)51(43)45(37)30-46(38)52/h1-30H
InChIKeyJEJLLCIOCLHKHF-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.81
Rot. Bonds4

About N,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline

N,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline (PubChem CID 163673219) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is N,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline
PubChem CID163673219
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC NameN,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4cccc5c4c4c3cccc4n3c4ccccc4c4cc6c7ccccc7n5c6cc43)cc2)cc1
InChIInChI=1S/C48H30N4/c1-3-13-31(14-4-1)49(32-15-5-2-6-16-32)33-25-27-34(28-26-33)50-41-21-11-23-43-47(41)48-42(50)22-12-24-44(48)52-40-20-10-8-18-36(40)38-29-37-35-17-7-9-19-39(35)51(43)45(37)30-46(38)52/h1-30H
InChIKeyJEJLLCIOCLHKHF-UHFFFAOYSA-N
XLogP12.81
TPSA16.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline with MolForge

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Related Compounds

4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
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CID 171416695
N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
CID 100915201
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline (CID 163673219) is N,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline is c1ccc(N(c2ccccc2)c2ccc(-n3c4cccc5c4c4c3cccc4n3c4ccccc4c4cc6c7ccccc7n5c6cc43)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline?
The InChIKey is JEJLLCIOCLHKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-3-13-31(14-4-1)49(32-15-5-2-6-16-32)33-25-27-34(28-26-33)50-41-21-11-23-43-47(41)48-42(50)22-12-24-44(48)52-40-20-10-8-18-36(40)38-29-37-35-17-7-9-19-39(35)51(43)45(37)30-46(38)52/h1-30H.
What are the key properties of N,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline?
N,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline has a molecular weight of 662.80 g/mol, XLogP of 12.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(8,21,33-triazanonacyclo[26.3.1.113,16.02,7.08,31.09,14.015,20.021,29.022,27]tritriaconta-1(32),2,4,6,9,11,13,15,17,19,22,24,26,28,30-pentadecaen-33-yl)aniline is sourced from PubChem (CID 163673219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).