N-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

C58H36N2O — CID 155429808

IUPACN-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6c4oc4cccc(c46)-c4cccc6cccc-5c46)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C58H36N2O/c1-3-12-37(13-4-1)38-24-28-42(29-25-38)59(44-32-33-47-46-18-7-8-22-52(46)60(53(47)36-44)41-16-5-2-6-17-41)43-30-26-39(27-31-43)45-34-35-51-49-20-10-15-40-14-9-19-48(55(40)49)50-21-11-23-54-56(50)57(51)58(45)61-54/h1-36H
InChIKeyRWAMPDFVHCWAME-UHFFFAOYSA-N
MW776.94 g/mol
LogP16.29
Rot. Bonds6

About N-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

N-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 155429808) has the molecular formula C58H36N2O and a molecular weight of 776.94 g/mol. Its IUPAC name is N-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID155429808
Molecular FormulaC58H36N2O
Molecular Weight776.94 g/mol
Exact Mass776.28
IUPAC NameN-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6c4oc4cccc(c46)-c4cccc6cccc-5c46)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C58H36N2O/c1-3-12-37(13-4-1)38-24-28-42(29-25-38)59(44-32-33-47-46-18-7-8-22-52(46)60(53(47)36-44)41-16-5-2-6-17-41)43-30-26-39(27-31-43)45-34-35-51-49-20-10-15-40-14-9-19-48(55(40)49)50-21-11-23-54-56(50)57(51)58(45)61-54/h1-36H
InChIKeyRWAMPDFVHCWAME-UHFFFAOYSA-N
XLogP16.29
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.94
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-3-amine
CID 139571792
3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 146664196
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814780
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-9-[2-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 164971651
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
N-(3-carbazol-9-ylphenyl)-3-dibenzofuran-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 168798261
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814481
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 166939040
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379960
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118640922
N-(3-dibenzofuran-4-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298522
N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298904

Frequently Asked Questions

What is the IUPAC name of N-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (CID 155429808) is N-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6c4oc4cccc(c46)-c4cccc6cccc-5c46)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of N-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is RWAMPDFVHCWAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O/c1-3-12-37(13-4-1)38-24-28-42(29-25-38)59(44-32-33-47-46-18-7-8-22-52(46)60(53(47)36-44)41-16-5-2-6-17-41)43-30-26-39(27-31-43)45-34-35-51-49-20-10-15-40-14-9-19-48(55(40)49)50-21-11-23-54-56(50)57(51)58(45)61-54/h1-36H.
What are the key properties of N-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
N-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 776.94 g/mol, XLogP of 16.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 155429808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).