N-[4-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline

C46H30N2O — CID 140905652

IUPACN-[4-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5cc6c(ccc7oc8ccccc8c76)cc54)cc3)cc2)cc1
InChIInChI=1S/C46H30N2O/c1-3-11-31(12-4-1)32-19-22-35(23-20-32)47(34-13-5-2-6-14-34)36-24-26-37(27-25-36)48-42-17-9-7-15-38(42)41-30-40-33(29-43(41)48)21-28-45-46(40)39-16-8-10-18-44(39)49-45/h1-30H
InChIKeyRLCOJZMVAIPIHF-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.97
Rot. Bonds5

About N-[4-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline

N-[4-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline (PubChem CID 140905652) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is N-[4-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline
PubChem CID140905652
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC NameN-[4-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5cc6c(ccc7oc8ccccc8c76)cc54)cc3)cc2)cc1
InChIInChI=1S/C46H30N2O/c1-3-11-31(12-4-1)32-19-22-35(23-20-32)47(34-13-5-2-6-14-34)36-24-26-37(27-25-36)48-42-17-9-7-15-38(42)41-30-40-33(29-43(41)48)21-28-45-46(40)39-16-8-10-18-44(39)49-45/h1-30H
InChIKeyRLCOJZMVAIPIHF-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-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

16-[4-(3,5-diphenylphenyl)phenyl]-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 122465837
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033894
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033598
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170033937
N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 118405567
N-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzothiophen-3-amine
CID 126718270
3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795911
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402378
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
N-(4-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 146578329
N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 162697693

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline (CID 140905652) is N-[4-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5cc6c(ccc7oc8ccccc8c76)cc54)cc3)cc2)cc1.
What is the InChIKey of N-[4-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline?
The InChIKey is RLCOJZMVAIPIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-3-11-31(12-4-1)32-19-22-35(23-20-32)47(34-13-5-2-6-14-34)36-24-26-37(27-25-36)48-42-17-9-7-15-38(42)41-30-40-33(29-43(41)48)21-28-45-46(40)39-16-8-10-18-44(39)49-45/h1-30H.
What are the key properties of N-[4-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline?
N-[4-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-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-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 140905652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).