N,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline

C42H25NO3 — CID 138650773

IUPACN,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4oc5ccc6c7ccccc7oc6c5c4c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C42H25NO3/c1-3-11-27(12-4-1)43(28-13-5-2-6-14-28)29-21-19-26(20-22-29)33-25-37-39(38-32-16-8-10-18-35(32)46-42(33)38)40-36(44-37)24-23-31-30-15-7-9-17-34(30)45-41(31)40/h1-25H
InChIKeyQWVLQQAMCRUYDB-UHFFFAOYSA-N
MW591.67 g/mol
LogP12.52
Rot. Bonds4

About N,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline

N,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline (PubChem CID 138650773) has the molecular formula C42H25NO3 and a molecular weight of 591.67 g/mol. Its IUPAC name is N,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline
PubChem CID138650773
Molecular FormulaC42H25NO3
Molecular Weight591.67 g/mol
Exact Mass591.18
IUPAC NameN,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4oc5ccc6c7ccccc7oc6c5c4c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C42H25NO3/c1-3-11-27(12-4-1)43(28-13-5-2-6-14-28)29-21-19-26(20-22-29)33-25-37-39(38-32-16-8-10-18-35(32)46-42(33)38)40-36(44-37)24-23-31-30-15-7-9-17-34(30)45-41(31)40/h1-25H
InChIKeyQWVLQQAMCRUYDB-UHFFFAOYSA-N
XLogP12.52
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.67
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline with MolForge

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)phenyl]aniline
CID 138650794
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-amine
CID 138651140
4-phenyl-N-(4-phenylphenyl)-N-[4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-18-yl)phenyl]aniline
CID 138650764
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N,4-diphenylaniline
CID 167132748
N,N-diphenyl-4-(5-triphenylen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)aniline
CID 170535871
N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 138651156
N-[4-(4-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-N,4-diphenylaniline
CID 140919148
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 164961326
3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605105
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline (CID 138650773) is N,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline is c1ccc(N(c2ccccc2)c2ccc(-c3cc4oc5ccc6c7ccccc7oc6c5c4c4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline?
The InChIKey is QWVLQQAMCRUYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO3/c1-3-11-27(12-4-1)43(28-13-5-2-6-14-28)29-21-19-26(20-22-29)33-25-37-39(38-32-16-8-10-18-35(32)46-42(33)38)40-36(44-37)24-23-31-30-15-7-9-17-34(30)45-41(31)40/h1-25H.
What are the key properties of N,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline?
N,N-diphenyl-4-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline has a molecular weight of 591.67 g/mol, XLogP of 12.52, 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-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)aniline is sourced from PubChem (CID 138650773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).