7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine

C54H33NO2S — CID 170536229

IUPAC7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(oc5ccc6oc7ccccc7c6c54)c3-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C54H33NO2S/c1-3-12-34(13-4-1)36-22-26-38(27-23-36)55(39-28-24-37(25-29-39)35-14-5-2-6-15-35)45-31-30-43-52-48(33-32-47-51(52)42-17-7-9-20-46(42)56-47)57-53(43)50(45)44-19-11-18-41-40-16-8-10-21-49(40)58-54(41)44/h1-33H
InChIKeyAOGLUZCWPCSCJV-UHFFFAOYSA-N
MW759.93 g/mol
LogP16.32
Rot. Bonds6

About 7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine

7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine (PubChem CID 170536229) has the molecular formula C54H33NO2S and a molecular weight of 759.93 g/mol. Its IUPAC name is 7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine.

Molecular Properties

Compound Name7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine
PubChem CID170536229
Molecular FormulaC54H33NO2S
Molecular Weight759.93 g/mol
Exact Mass759.22
IUPAC Name7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(oc5ccc6oc7ccccc7c6c54)c3-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C54H33NO2S/c1-3-12-34(13-4-1)36-22-26-38(27-23-36)55(39-28-24-37(25-29-39)35-14-5-2-6-15-35)45-31-30-43-52-48(33-32-47-51(52)42-17-7-9-20-46(42)56-47)57-53(43)50(45)44-19-11-18-41-40-16-8-10-21-49(40)58-54(41)44/h1-33H
InChIKeyAOGLUZCWPCSCJV-UHFFFAOYSA-N
XLogP16.32
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.93
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186805
N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 156522448
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
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 164990906
N-[4-(6-dibenzothiophen-4-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)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170536349
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155187031
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 176824657
4-(7-dibenzothiophen-4-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-5-yl)-N,N-diphenylaniline
CID 170535734
N-(4-dibenzothiophen-4-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167329482
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 154961714
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737260

Frequently Asked Questions

What is the IUPAC name of 7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine?
The IUPAC name of 7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine (CID 170536229) is 7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine.
What is the SMILES notation for 7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine?
The canonical SMILES for 7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(oc5ccc6oc7ccccc7c6c54)c3-c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine?
The InChIKey is AOGLUZCWPCSCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2S/c1-3-12-34(13-4-1)36-22-26-38(27-23-36)55(39-28-24-37(25-29-39)35-14-5-2-6-15-35)45-31-30-43-52-48(33-32-47-51(52)42-17-7-9-20-46(42)56-47)57-53(43)50(45)44-19-11-18-41-40-16-8-10-21-49(40)58-54(41)44/h1-33H.
What are the key properties of 7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine?
7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine has a molecular weight of 759.93 g/mol, XLogP of 16.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)-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-6-amine is sourced from PubChem (CID 170536229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).