N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine

C54H35NO2 — CID 158923776

IUPACN,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
SMILESc1ccc(-c2ccc(-c3c4oc5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)c5c4cc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H35NO2/c1-4-13-36(14-5-1)39-23-25-42(26-24-39)51-53-45-19-10-11-21-48(45)56-50(53)35-46-52-47(20-12-22-49(52)57-54(46)51)55(43-31-27-40(28-32-43)37-15-6-2-7-16-37)44-33-29-41(30-34-44)38-17-8-3-9-18-38/h1-35H
InChIKeyJIEDCMDUZQKJDM-UHFFFAOYSA-N
MW729.88 g/mol
LogP15.62
Rot. Bonds7

About N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine

N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine (PubChem CID 158923776) has the molecular formula C54H35NO2 and a molecular weight of 729.88 g/mol. Its IUPAC name is N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine.

Molecular Properties

Compound NameN,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
PubChem CID158923776
Molecular FormulaC54H35NO2
Molecular Weight729.88 g/mol
Exact Mass729.27
IUPAC NameN,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
SMILESc1ccc(-c2ccc(-c3c4oc5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)c5c4cc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H35NO2/c1-4-13-36(14-5-1)39-23-25-42(26-24-39)51-53-45-19-10-11-21-48(45)56-50(53)35-46-52-47(20-12-22-49(52)57-54(46)51)55(43-31-27-40(28-32-43)37-15-6-2-7-16-37)44-33-29-41(30-34-44)38-17-8-3-9-18-38/h1-35H
InChIKeyJIEDCMDUZQKJDM-UHFFFAOYSA-N
XLogP15.62
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 161357638
12-naphthalen-2-yl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 160729458
N,12-bis(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 163616833
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
CID 171050107
2-N,6-N-di(dibenzofuran-1-yl)-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89254671
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-12-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 160710510
N-dibenzofuran-4-yl-12-naphthalen-2-yl-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 161006635
N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 158699050
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423267
N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169296294

Frequently Asked Questions

What is the IUPAC name of N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine?
The IUPAC name of N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine (CID 158923776) is N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine.
What is the SMILES notation for N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine?
The canonical SMILES for N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine is c1ccc(-c2ccc(-c3c4oc5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)c5c4cc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine?
The InChIKey is JIEDCMDUZQKJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO2/c1-4-13-36(14-5-1)39-23-25-42(26-24-39)51-53-45-19-10-11-21-48(45)56-50(53)35-46-52-47(20-12-22-49(52)57-54(46)51)55(43-31-27-40(28-32-43)37-15-6-2-7-16-37)44-33-29-41(30-34-44)38-17-8-3-9-18-38/h1-35H.
What are the key properties of N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine?
N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine has a molecular weight of 729.88 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine is sourced from PubChem (CID 158923776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).