N-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine

C56H33NOS — CID 171729149

IUPACN-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3cc4c(cc3c2)-c2cc3cc(N(c5cc6c(cc5-c5ccccc5)sc5ccccc56)c5cccc6c5oc5ccccc56)ccc3cc2-4)cc1
InChIInChI=1S/C56H33NOS/c1-3-12-34(13-4-1)36-22-23-37-28-46-47-29-38-24-25-41(27-40(38)31-49(47)48(46)30-39(37)26-36)57(51-19-11-18-44-42-16-7-9-20-53(42)58-56(44)51)52-32-50-43-17-8-10-21-54(43)59-55(50)33-45(52)35-14-5-2-6-15-35/h1-33H
InChIKeyXVTCBIOFWYZLJE-UHFFFAOYSA-N
MW767.95 g/mol
LogP16.71
Rot. Bonds5

About N-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine

N-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine (PubChem CID 171729149) has the molecular formula C56H33NOS and a molecular weight of 767.95 g/mol. Its IUPAC name is N-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
PubChem CID171729149
Molecular FormulaC56H33NOS
Molecular Weight767.95 g/mol
Exact Mass767.23
IUPAC NameN-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3cc4c(cc3c2)-c2cc3cc(N(c5cc6c(cc5-c5ccccc5)sc5ccccc56)c5cccc6c5oc5ccccc56)ccc3cc2-4)cc1
InChIInChI=1S/C56H33NOS/c1-3-12-34(13-4-1)36-22-23-37-28-46-47-29-38-24-25-41(27-40(38)31-49(47)48(46)30-39(37)26-36)57(51-19-11-18-44-42-16-7-9-20-53(42)58-56(44)51)52-32-50-43-17-8-10-21-54(43)59-55(50)33-45(52)35-14-5-2-6-15-35/h1-33H
InChIKeyXVTCBIOFWYZLJE-UHFFFAOYSA-N
XLogP16.71
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.95
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine with MolForge

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Related Compounds

N-(2-methylphenyl)-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166032551
N-dibenzofuran-4-yl-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 167397315
N-(4-methylphenyl)-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166032751
N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163957586
N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 167397227
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163970768
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 167325008
N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435491
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435290
N-dibenzothiophen-4-yl-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 166566035
N-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 163977940

Frequently Asked Questions

What is the IUPAC name of N-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine?
The IUPAC name of N-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine (CID 171729149) is N-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine is c1ccc(-c2ccc3cc4c(cc3c2)-c2cc3cc(N(c5cc6c(cc5-c5ccccc5)sc5ccccc56)c5cccc6c5oc5ccccc56)ccc3cc2-4)cc1.
What is the InChIKey of N-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine?
The InChIKey is XVTCBIOFWYZLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33NOS/c1-3-12-34(13-4-1)36-22-23-37-28-46-47-29-38-24-25-41(27-40(38)31-49(47)48(46)30-39(37)26-36)57(51-19-11-18-44-42-16-7-9-20-53(42)58-56(44)51)52-32-50-43-17-8-10-21-54(43)59-55(50)33-45(52)35-14-5-2-6-15-35/h1-33H.
What are the key properties of N-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine?
N-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine has a molecular weight of 767.95 g/mol, XLogP of 16.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyldibenzothiophen-2-yl)-N-(17-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine is sourced from PubChem (CID 171729149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).