N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine

C50H30N2OS — CID 126621564

IUPACN-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine
SMILESc1ccc(-n2c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5ccccc45)cc3c3cc4ccc5c6ccccc6sc5c4cc32)cc1
InChIInChI=1S/C50H30N2OS/c1-2-13-33(14-3-1)52-45-26-23-34(28-43(45)42-27-32-21-24-40-39-17-7-9-20-49(39)54-50(40)41(32)30-46(42)52)51(44-18-10-12-31-11-4-5-15-36(31)44)35-22-25-38-37-16-6-8-19-47(37)53-48(38)29-35/h1-30H
InChIKeyQJGLPMDQTLQKJA-UHFFFAOYSA-N
MW706.87 g/mol
LogP14.83
Rot. Bonds4

About N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine

N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine (PubChem CID 126621564) has the molecular formula C50H30N2OS and a molecular weight of 706.87 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine
PubChem CID126621564
Molecular FormulaC50H30N2OS
Molecular Weight706.87 g/mol
Exact Mass706.21
IUPAC NameN-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine
SMILESc1ccc(-n2c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5ccccc45)cc3c3cc4ccc5c6ccccc6sc5c4cc32)cc1
InChIInChI=1S/C50H30N2OS/c1-2-13-33(14-3-1)52-45-26-23-34(28-43(45)42-27-32-21-24-40-39-17-7-9-20-49(39)54-50(40)41(32)30-46(42)52)51(44-18-10-12-31-11-4-5-15-36(31)44)35-22-25-38-37-16-6-8-19-47(37)53-48(38)29-35/h1-30H
InChIKeyQJGLPMDQTLQKJA-UHFFFAOYSA-N
XLogP14.83
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.87
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-dibenzothiophen-3-yl-N,22-diphenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-22-phenyl-N-(3-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-naphthalen-2-yl-22-phenyl-N-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine;N-(4-phenylphenyl)-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]dibenzothiophen-3-amine
CID 158006340
9-dibenzothiophen-4-yl-2-N,6-N,6-N-triphenyl-2-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-2,6-diamine;2-N,6-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)dibenzofuran-2-yl]-6-N,9-diphenylcarbazole-2,6-diamine;2-N,6-N,6-N,9-tetraphenyl-2-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-2,6-diamine
CID 158471436
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042143
N-dibenzothiophen-3-yl-N,22-diphenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-amine
CID 140918097
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine
CID 170041410
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 162244796
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041496
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine;N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine;N-dibenzothiophen-4-yl-9-phenyl-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine
CID 164954606
7-N-naphtho[1,2-b][1]benzothiol-4-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 170410120
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814389
N-(5-dibenzofuran-1-ylnaphthalen-1-yl)-N-dibenzothiophen-4-yl-9-phenylcarbazol-2-amine
CID 168814345
N-chrysen-1-yl-N-dibenzothiophen-2-yl-9-phenylcarbazol-3-amine
CID 170139043

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine (CID 126621564) is N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine is c1ccc(-n2c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5ccccc45)cc3c3cc4ccc5c6ccccc6sc5c4cc32)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine?
The InChIKey is QJGLPMDQTLQKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2OS/c1-2-13-33(14-3-1)52-45-26-23-34(28-43(45)42-27-32-21-24-40-39-17-7-9-20-49(39)54-50(40)41(32)30-46(42)52)51(44-18-10-12-31-11-4-5-15-36(31)44)35-22-25-38-37-16-6-8-19-47(37)53-48(38)29-35/h1-30H.
What are the key properties of N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine?
N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine has a molecular weight of 706.87 g/mol, XLogP of 14.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-naphthalen-1-yl-22-phenyl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-amine is sourced from PubChem (CID 126621564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).