4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline

C55H35NO4 — CID 160759964

IUPAC4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline
SMILESCc1ccc(-c2cc3c(o2)c2cc(-c4ccccc4)oc2c2c4oc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4oc(-c5ccccc5)cc4c32)cc1
InChIInChI=1S/C55H35NO4/c1-34-22-24-37(25-23-34)47-31-43-50-42-30-46(35-14-6-2-7-15-35)57-52(42)45-33-49(38-26-28-41(29-27-38)56(39-18-10-4-11-19-39)40-20-12-5-13-21-40)60-55(45)51(50)54-44(53(43)58-47)32-48(59-54)36-16-8-3-9-17-36/h2-33H,1H3
InChIKeyYJRVRUUGMFSNER-UHFFFAOYSA-N
MW773.89 g/mol
LogP16.27
Rot. Bonds7

About 4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline

4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline (PubChem CID 160759964) has the molecular formula C55H35NO4 and a molecular weight of 773.89 g/mol. Its IUPAC name is 4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline
PubChem CID160759964
Molecular FormulaC55H35NO4
Molecular Weight773.89 g/mol
Exact Mass773.26
IUPAC Name4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline
SMILESCc1ccc(-c2cc3c(o2)c2cc(-c4ccccc4)oc2c2c4oc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4oc(-c5ccccc5)cc4c32)cc1
InChIInChI=1S/C55H35NO4/c1-34-22-24-37(25-23-34)47-31-43-50-42-30-46(35-14-6-2-7-15-35)57-52(42)45-33-49(38-26-28-41(29-27-38)56(39-18-10-4-11-19-39)40-20-12-5-13-21-40)60-55(45)51(50)54-44(53(43)58-47)32-48(59-54)36-16-8-3-9-17-36/h2-33H,1H3
InChIKeyYJRVRUUGMFSNER-UHFFFAOYSA-N
XLogP16.27
TPSA55.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.89
LogP ≤ 516.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 159992995
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-(4-methylphenyl)phenyl]benzene-1,3,5-triamine
CID 161439793
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine
CID 59721904
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759

Frequently Asked Questions

What is the IUPAC name of 4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline (CID 160759964) is 4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline is Cc1ccc(-c2cc3c(o2)c2cc(-c4ccccc4)oc2c2c4oc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4oc(-c5ccccc5)cc4c32)cc1.
What is the InChIKey of 4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline?
The InChIKey is YJRVRUUGMFSNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO4/c1-34-22-24-37(25-23-34)47-31-43-50-42-30-46(35-14-6-2-7-15-35)57-52(42)45-33-49(38-26-28-41(29-27-38)56(39-18-10-4-11-19-39)40-20-12-5-13-21-40)60-55(45)51(50)54-44(53(43)58-47)32-48(59-54)36-16-8-3-9-17-36/h2-33H,1H3.
What are the key properties of 4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline?
4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline has a molecular weight of 773.89 g/mol, XLogP of 16.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline is sourced from PubChem (CID 160759964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).