N-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine

C48H30N2OS — CID 169023173

IUPACN-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine
SMILESc1ccc(-c2cccc(N(c3cccc4c3-n3c5ccccc5c5cccc(c53)O4)c3cc(-c4ccccc4)cc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C48H30N2OS/c1-3-14-31(15-4-1)33-18-11-19-35(28-33)49(42-30-34(32-16-5-2-6-17-32)29-39-37-21-8-10-27-45(37)52-48(39)42)41-24-13-26-44-47(41)50-40-23-9-7-20-36(40)38-22-12-25-43(51-44)46(38)50/h1-30H
InChIKeySDTNFKRHUFGJDJ-UHFFFAOYSA-N
MW682.85 g/mol
LogP14.06
Rot. Bonds5

About N-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine

N-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine (PubChem CID 169023173) has the molecular formula C48H30N2OS and a molecular weight of 682.85 g/mol. Its IUPAC name is N-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine.

Molecular Properties

Compound NameN-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine
PubChem CID169023173
Molecular FormulaC48H30N2OS
Molecular Weight682.85 g/mol
Exact Mass682.21
IUPAC NameN-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine
SMILESc1ccc(-c2cccc(N(c3cccc4c3-n3c5ccccc5c5cccc(c53)O4)c3cc(-c4ccccc4)cc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C48H30N2OS/c1-3-14-31(15-4-1)33-18-11-19-35(28-33)49(42-30-34(32-16-5-2-6-17-32)29-39-37-21-8-10-27-45(37)52-48(39)42)41-24-13-26-44-47(41)50-40-23-9-7-20-36(40)38-22-12-25-43(51-44)46(38)50/h1-30H
InChIKeySDTNFKRHUFGJDJ-UHFFFAOYSA-N
XLogP14.06
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.85
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine with MolForge

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Related Compounds

3-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086568
9-carbazol-9-yl-N-(2-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 165374632
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 164957060
12-carbazol-9-yl-N-dibenzothiophen-4-yl-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
CID 161113732
N-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline
CID 174284317
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 164967168
N-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline
CID 144844352
N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine
CID 122462802
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750
N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine
CID 122462963
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
N-dibenzothiophen-4-yl-N,6,8,9-tetraphenylcarbazol-1-amine
CID 177286407

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine?
The IUPAC name of N-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine (CID 169023173) is N-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine.
What is the SMILES notation for N-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine?
The canonical SMILES for N-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine is c1ccc(-c2cccc(N(c3cccc4c3-n3c5ccccc5c5cccc(c53)O4)c3cc(-c4ccccc4)cc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of N-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine?
The InChIKey is SDTNFKRHUFGJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OS/c1-3-14-31(15-4-1)33-18-11-19-35(28-33)49(42-30-34(32-16-5-2-6-17-32)29-39-37-21-8-10-27-45(37)52-48(39)42)41-24-13-26-44-47(41)50-40-23-9-7-20-36(40)38-22-12-25-43(51-44)46(38)50/h1-30H.
What are the key properties of N-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine?
N-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine has a molecular weight of 682.85 g/mol, XLogP of 14.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-amine is sourced from PubChem (CID 169023173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).