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

C54H32N2O2S — CID 161113732

IUPAC12-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
SMILESc1ccc(-c2cccc(N(c3ccc4oc5c(-n6c7ccccc7c7ccccc76)c6c(cc5c4c3)oc3ccccc36)c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C54H32N2O2S/c1-2-14-33(15-3-1)34-16-12-17-35(30-34)55(46-25-13-22-40-39-20-7-11-27-50(39)59-54(40)46)36-28-29-48-42(31-36)43-32-49-51(41-21-6-10-26-47(41)57-49)52(53(43)58-48)56-44-23-8-4-18-37(44)38-19-5-9-24-45(38)56/h1-32H
InChIKeyUKAPQCYLJXOEPR-UHFFFAOYSA-N
MW772.93 g/mol
LogP16.09
Rot. Bonds5

About 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

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 (PubChem CID 161113732) has the molecular formula C54H32N2O2S and a molecular weight of 772.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-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
PubChem CID161113732
Molecular FormulaC54H32N2O2S
Molecular Weight772.93 g/mol
Exact Mass772.22
IUPAC Name12-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
SMILESc1ccc(-c2cccc(N(c3ccc4oc5c(-n6c7ccccc7c7ccccc76)c6c(cc5c4c3)oc3ccccc36)c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C54H32N2O2S/c1-2-14-33(15-3-1)34-16-12-17-35(30-34)55(46-25-13-22-40-39-20-7-11-27-50(39)59-54(40)46)36-28-29-48-42(31-36)43-32-49-51(41-21-6-10-26-47(41)57-49)52(53(43)58-48)56-44-23-8-4-18-37(44)38-19-5-9-24-45(38)56/h1-32H
InChIKeyUKAPQCYLJXOEPR-UHFFFAOYSA-N
XLogP16.09
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.93
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

N-[4-(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-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159292400
N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167086280
N-[3-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 177084663
1-N-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-1-N-phenylbenzene-1,3-diamine;3-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-3-N-dibenzothiophen-2-yl-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]benzene-1,3-diamine
CID 160796602
N-[3-[4-(3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 177084667
12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-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 158629959
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
CID 164955404
N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine
CID 163425297
N-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 155773114
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 166591724
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-4-yldibenzofuran-2-amine
CID 167322717

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(N(c3ccc4oc5c(-n6c7ccccc7c7ccccc76)c6c(cc5c4c3)oc3ccccc36)c3cccc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of 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?
The InChIKey is UKAPQCYLJXOEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2S/c1-2-14-33(15-3-1)34-16-12-17-35(30-34)55(46-25-13-22-40-39-20-7-11-27-50(39)59-54(40)46)36-28-29-48-42(31-36)43-32-49-51(41-21-6-10-26-47(41)57-49)52(53(43)58-48)56-44-23-8-4-18-37(44)38-19-5-9-24-45(38)56/h1-32H.
What are the key properties of 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?
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 has a molecular weight of 772.93 g/mol, XLogP of 16.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161113732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).