N-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine

C53H32N2S — CID 163812207

IUPACN-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine
SMILESc1ccc(N(c2ccc3c(c2)-n2c4ccccc4c4cccc(c42)C32c3ccccc3-c3ccc4ccccc4c32)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C53H32N2S/c1-2-15-34(16-3-1)54(46-25-13-27-49-50(46)41-20-8-11-26-48(41)56-49)35-29-31-43-47(32-35)55-45-24-10-7-19-38(45)40-21-12-23-44(52(40)55)53(43)42-22-9-6-18-37(42)39-30-28-33-14-4-5-17-36(33)51(39)53/h1-32H
InChIKeyNOGOZLZTCCNPJS-UHFFFAOYSA-N
MW728.92 g/mol
LogP14.45
Rot. Bonds3

About N-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine

N-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine (PubChem CID 163812207) has the molecular formula C53H32N2S and a molecular weight of 728.92 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine
PubChem CID163812207
Molecular FormulaC53H32N2S
Molecular Weight728.92 g/mol
Exact Mass728.23
IUPAC NameN-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine
SMILESc1ccc(N(c2ccc3c(c2)-n2c4ccccc4c4cccc(c42)C32c3ccccc3-c3ccc4ccccc4c32)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C53H32N2S/c1-2-15-34(16-3-1)54(46-25-13-27-49-50(46)41-20-8-11-26-48(41)56-49)35-29-31-43-47(32-35)55-45-24-10-7-19-38(45)40-21-12-23-44(52(40)55)53(43)42-22-9-6-18-37(42)39-30-28-33-14-4-5-17-36(33)51(39)53/h1-32H
InChIKeyNOGOZLZTCCNPJS-UHFFFAOYSA-N
XLogP14.45
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.92
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166473
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-1-amine
CID 156664835
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine
CID 158254719
N-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-1'-amine
CID 135293653
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzothiophen-1-amine
CID 156664763
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 167177216
N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine
CID 135168507
N-(3-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135168156
N-(4-dibenzothiophen-2-ylphenyl)-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135167875
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166419
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine
CID 155396619
2'-carbazol-9-yl-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423967

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine (CID 163812207) is N-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine is c1ccc(N(c2ccc3c(c2)-n2c4ccccc4c4cccc(c42)C32c3ccccc3-c3ccc4ccccc4c32)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine?
The InChIKey is NOGOZLZTCCNPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2S/c1-2-15-34(16-3-1)54(46-25-13-27-49-50(46)41-20-8-11-26-48(41)56-49)35-29-31-43-47(32-35)55-45-24-10-7-19-38(45)40-21-12-23-44(52(40)55)53(43)42-22-9-6-18-37(42)39-30-28-33-14-4-5-17-36(33)51(39)53/h1-32H.
What are the key properties of N-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine?
N-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine has a molecular weight of 728.92 g/mol, XLogP of 14.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,11'-benzo[a]fluorene]-17-amine is sourced from PubChem (CID 163812207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).