N-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine

C50H36N2S — CID 167282143

IUPACN-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine
SMILESC/C=C\c1c(C)c2cc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3-c3cccc5cc6c(c-4c35)CCC=C6)ccc2n1-c1ccccc1
InChIInChI=1S/C50H36N2S/c1-3-13-43-31(2)42-29-35(25-27-44(42)52(43)34-16-5-4-6-17-34)51(36-24-26-39-38-19-9-10-23-46(38)53-47(39)30-36)45-22-12-21-41-49(45)40-20-11-15-33-28-32-14-7-8-18-37(32)50(41)48(33)40/h3-7,9-17,19-30H,8,18H2,1-2H3/b13-3-
InChIKeyVALPEJKZYXNOQU-DXNYSGJVSA-N
MW696.92 g/mol
LogP14.57
Rot. Bonds5

About N-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine

N-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine (PubChem CID 167282143) has the molecular formula C50H36N2S and a molecular weight of 696.92 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine
PubChem CID167282143
Molecular FormulaC50H36N2S
Molecular Weight696.92 g/mol
Exact Mass696.26
IUPAC NameN-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine
SMILESC/C=C\c1c(C)c2cc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3-c3cccc5cc6c(c-4c35)CCC=C6)ccc2n1-c1ccccc1
InChIInChI=1S/C50H36N2S/c1-3-13-43-31(2)42-29-35(25-27-44(42)52(43)34-16-5-4-6-17-34)51(36-24-26-39-38-19-9-10-23-46(38)53-47(39)30-36)45-22-12-21-41-49(45)40-20-11-15-33-28-32-14-7-8-18-37(32)50(41)48(33)40/h3-7,9-17,19-30H,8,18H2,1-2H3/b13-3-
InChIKeyVALPEJKZYXNOQU-DXNYSGJVSA-N
XLogP14.57
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.92
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine with MolForge

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Related Compounds

N-dibenzothiophen-3-yl-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167285475
N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine
CID 167282097
N-dibenzothiophen-3-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenylcarbazol-2-amine
CID 167357245
N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine
CID 166997186
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 167324605
N-chrysen-1-yl-N-dibenzothiophen-2-yl-9-phenylcarbazol-3-amine
CID 170139043
N-dibenzothiophen-1-yl-N-(2-naphtho[1,2-b][1]benzothiol-7-yl-3-phenylphenyl)-9-phenylcarbazol-3-amine
CID 170666257
N-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine
CID 129293035
N-chrysen-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138992
N-dibenzofuran-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenylcarbazol-2-amine
CID 167357236
N-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine
CID 145360784
N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577647

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine?
The IUPAC name of N-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine (CID 167282143) is N-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine is C/C=C\c1c(C)c2cc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3-c3cccc5cc6c(c-4c35)CCC=C6)ccc2n1-c1ccccc1.
What is the InChIKey of N-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine?
The InChIKey is VALPEJKZYXNOQU-DXNYSGJVSA-N. The full InChI is InChI=1S/C50H36N2S/c1-3-13-43-31(2)42-29-35(25-27-44(42)52(43)34-16-5-4-6-17-34)51(36-24-26-39-38-19-9-10-23-46(38)53-47(39)30-36)45-22-12-21-41-49(45)40-20-11-15-33-28-32-14-7-8-18-37(32)50(41)48(33)40/h3-7,9-17,19-30H,8,18H2,1-2H3/b13-3-.
What are the key properties of N-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine?
N-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine has a molecular weight of 696.92 g/mol, XLogP of 14.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine is sourced from PubChem (CID 167282143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).