N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine

C74H48N2S — CID 168750866

IUPACN-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine
SMILESc1ccc(-c2ccc3c4c2-c2ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6sc7ccccc7c56)cc2C4(c2ccccc2)c2ccccc2N3c2ccccc2)cc1
InChIInChI=1S/C74H48N2S/c1-6-23-49(24-7-1)56-45-46-67-72-70(56)59-44-42-55(48-64(59)74(72,52-29-12-4-13-30-52)62-36-19-20-37-65(62)76(67)53-31-14-5-15-32-53)75(66-38-22-40-69-71(66)60-34-17-21-39-68(60)77-69)54-41-43-58-57-33-16-18-35-61(57)73(63(58)47-54,50-25-8-2-9-26-50)51-27-10-3-11-28-51/h1-48H
InChIKeySHSUEJACFDIURE-UHFFFAOYSA-N
MW997.28 g/mol
LogP19.70
Rot. Bonds8

About N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine

N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine (PubChem CID 168750866) has the molecular formula C74H48N2S and a molecular weight of 997.28 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine
PubChem CID168750866
Molecular FormulaC74H48N2S
Molecular Weight997.28 g/mol
Exact Mass996.35
IUPAC NameN-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine
SMILESc1ccc(-c2ccc3c4c2-c2ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6sc7ccccc7c56)cc2C4(c2ccccc2)c2ccccc2N3c2ccccc2)cc1
InChIInChI=1S/C74H48N2S/c1-6-23-49(24-7-1)56-45-46-67-72-70(56)59-44-42-55(48-64(59)74(72,52-29-12-4-13-30-52)62-36-19-20-37-65(62)76(67)53-31-14-5-15-32-53)75(66-38-22-40-69-71(66)60-34-17-21-39-68(60)77-69)54-41-43-58-57-33-16-18-35-61(57)73(63(58)47-54,50-25-8-2-9-26-50)51-27-10-3-11-28-51/h1-48H
InChIKeySHSUEJACFDIURE-UHFFFAOYSA-N
XLogP19.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.28
LogP ≤ 519.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine with MolForge

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Related Compounds

N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155240036
N-dibenzothiophen-2-yl-1,5,13-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750862
N-dibenzothiophen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166688
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168927
N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168816
N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine
CID 168750641
N-dibenzothiophen-4-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 147879368
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240522
N-(9,9-diphenylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 135168780
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155240030
N-(9,9-diphenylfluoren-2-yl)-N-[4-(1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine
CID 168750620
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176605585

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine (CID 168750866) is N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine is c1ccc(-c2ccc3c4c2-c2ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6sc7ccccc7c56)cc2C4(c2ccccc2)c2ccccc2N3c2ccccc2)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine?
The InChIKey is SHSUEJACFDIURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2S/c1-6-23-49(24-7-1)56-45-46-67-72-70(56)59-44-42-55(48-64(59)74(72,52-29-12-4-13-30-52)62-36-19-20-37-65(62)76(67)53-31-14-5-15-32-53)75(66-38-22-40-69-71(66)60-34-17-21-39-68(60)77-69)54-41-43-58-57-33-16-18-35-61(57)73(63(58)47-54,50-25-8-2-9-26-50)51-27-10-3-11-28-51/h1-48H.
What are the key properties of N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine?
N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine has a molecular weight of 997.28 g/mol, XLogP of 19.70, 8 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-(9,9-diphenylfluoren-2-yl)-1,9,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14,16,18-nonaen-4-amine is sourced from PubChem (CID 168750866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).