N-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine

C70H48N2S — CID 168750843

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)c5c(c4)C4(c6ccccc6)c6ccccc6N(c6ccccc6)c6cccc-5c64)cc3)c3cccc4c3sc3ccccc34)cc21
InChIInChI=1S/C70H48N2S/c1-69(2)58-30-14-12-26-52(58)53-41-40-51(44-60(53)69)71(64-34-18-28-55-54-27-13-17-35-65(54)73-68(55)64)50-38-36-45(37-39-50)47-42-57(46-20-6-3-7-21-46)66-56-29-19-33-63-67(56)70(61(66)43-47,48-22-8-4-9-23-48)59-31-15-16-32-62(59)72(63)49-24-10-5-11-25-49/h3-44H,1-2H3
InChIKeyYDZIBIDKIKORLK-UHFFFAOYSA-N
MW949.24 g/mol
LogP19.31
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 168750843) has the molecular formula C70H48N2S and a molecular weight of 949.24 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine
PubChem CID168750843
Molecular FormulaC70H48N2S
Molecular Weight949.24 g/mol
Exact Mass948.35
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)c5c(c4)C4(c6ccccc6)c6ccccc6N(c6ccccc6)c6cccc-5c64)cc3)c3cccc4c3sc3ccccc34)cc21
InChIInChI=1S/C70H48N2S/c1-69(2)58-30-14-12-26-52(58)53-41-40-51(44-60(53)69)71(64-34-18-28-55-54-27-13-17-35-65(54)73-68(55)64)50-38-36-45(37-39-50)47-42-57(46-20-6-3-7-21-46)66-56-29-19-33-63-67(56)70(61(66)43-47,48-22-8-4-9-23-48)59-31-15-16-32-62(59)72(63)49-24-10-5-11-25-49/h3-44H,1-2H3
InChIKeyYDZIBIDKIKORLK-UHFFFAOYSA-N
XLogP19.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.24
LogP ≤ 519.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine with MolForge

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Related Compounds

N-dibenzothiophen-4-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 147879368
N-[4-(4-phenylphenyl)phenyl]-N-(6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-yl)dibenzothiophen-4-amine
CID 138455824
N-[4-[9,9-bis(4-dibenzothiophen-4-ylphenyl)fluoren-4-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164769029
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine
CID 167218672
N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 162042014
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 158728666
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
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-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155240036
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309283
N-(2-dibenzothiophen-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-3'-amine
CID 167176269
N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-15-azapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-amine
CID 155240655

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine (CID 168750843) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)c5c(c4)C4(c6ccccc6)c6ccccc6N(c6ccccc6)c6cccc-5c64)cc3)c3cccc4c3sc3ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is YDZIBIDKIKORLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2S/c1-69(2)58-30-14-12-26-52(58)53-41-40-51(44-60(53)69)71(64-34-18-28-55-54-27-13-17-35-65(54)73-68(55)64)50-38-36-45(37-39-50)47-42-57(46-20-6-3-7-21-46)66-56-29-19-33-63-67(56)70(61(66)43-47,48-22-8-4-9-23-48)59-31-15-16-32-62(59)72(63)49-24-10-5-11-25-49/h3-44H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 949.24 g/mol, XLogP of 19.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 168750843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).