N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline

C46H30N2O — CID 118545715

IUPACN-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccc6ccc7c8ccccc8oc7c6c54)cc3)cc2)cc1
InChIInChI=1S/C46H30N2O/c1-3-11-31(12-4-1)32-19-23-35(24-20-32)47(34-13-5-2-6-14-34)36-25-27-37(28-26-36)48-42-17-9-7-15-38(42)40-29-21-33-22-30-41-39-16-8-10-18-43(39)49-46(41)44(33)45(40)48/h1-30H
InChIKeyHWQDRBJIQOYYFT-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.97
Rot. Bonds5

About N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline

N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline (PubChem CID 118545715) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline
PubChem CID118545715
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC NameN-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccc6ccc7c8ccccc8oc7c6c54)cc3)cc2)cc1
InChIInChI=1S/C46H30N2O/c1-3-11-31(12-4-1)32-19-23-35(24-20-32)47(34-13-5-2-6-14-34)36-25-27-37(28-26-36)48-42-17-9-7-15-38(42)40-29-21-33-22-30-41-39-16-8-10-18-43(39)49-46(41)44(33)45(40)48/h1-30H
InChIKeyHWQDRBJIQOYYFT-UHFFFAOYSA-N
XLogP12.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline with MolForge

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Related Compounds

19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene
CID 142289915
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N,4-diphenylaniline
CID 130230934
N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118405637
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 118405520
N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline
CID 134252450
N-(4-benzo[a]carbazol-11-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805504
3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine
CID 135163558
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 140913685
N-[4-(5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]-N,4-diphenylaniline
CID 134252470
N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 140913945

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline (CID 118545715) is N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccc6ccc7c8ccccc8oc7c6c54)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline?
The InChIKey is HWQDRBJIQOYYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-3-11-31(12-4-1)32-19-23-35(24-20-32)47(34-13-5-2-6-14-34)36-25-27-37(28-26-36)48-42-17-9-7-15-38(42)40-29-21-33-22-30-41-39-16-8-10-18-43(39)49-46(41)44(33)45(40)48/h1-30H.
What are the key properties of N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline?
N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline has a molecular weight of 626.76 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 118545715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).