N-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine

C75H59NS — CID 177114039

IUPACN-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc2c(c1)-c1c(N(c3ccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)cc3)c3ccc4sc5ccccc5c4c3)cccc1C21c2cc(C3CCCCC3)ccc2-c2ccc(C3CCCCC3)cc21
InChIInChI=1S/C75H59NS/c1-3-14-48(15-4-1)58-34-39-62-63-40-35-59(49-16-5-2-6-17-49)46-70(63)75(69(62)45-58)67-22-11-9-21-65(67)74-68(75)23-13-24-71(74)76(61-38-41-73-66(47-61)64-20-10-12-25-72(64)77-73)60-36-32-51(33-37-60)53-28-29-56-44-57(31-30-55(56)43-53)54-27-26-50-18-7-8-19-52(50)42-54/h7-13,18-49H,1-6,14-17H2
InChIKeyDMABEAAVGUMVDD-UHFFFAOYSA-N
MW1006.37 g/mol
LogP21.60
Rot. Bonds7

About N-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine

N-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine (PubChem CID 177114039) has the molecular formula C75H59NS and a molecular weight of 1006.37 g/mol. Its IUPAC name is N-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
PubChem CID177114039
Molecular FormulaC75H59NS
Molecular Weight1006.37 g/mol
Exact Mass1005.44
IUPAC NameN-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc2c(c1)-c1c(N(c3ccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)cc3)c3ccc4sc5ccccc5c4c3)cccc1C21c2cc(C3CCCCC3)ccc2-c2ccc(C3CCCCC3)cc21
InChIInChI=1S/C75H59NS/c1-3-14-48(15-4-1)58-34-39-62-63-40-35-59(49-16-5-2-6-17-49)46-70(63)75(69(62)45-58)67-22-11-9-21-65(67)74-68(75)23-13-24-71(74)76(61-38-41-73-66(47-61)64-20-10-12-25-72(64)77-73)60-36-32-51(33-37-60)53-28-29-56-44-57(31-30-55(56)43-53)54-27-26-50-18-7-8-19-52(50)42-54/h7-13,18-49H,1-6,14-17H2
InChIKeyDMABEAAVGUMVDD-UHFFFAOYSA-N
XLogP21.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001006.37
LogP ≤ 521.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 177113961
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
CID 177114023
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177114073
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308860
2-N'-dibenzothiophen-2-yl-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915452
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325892
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-4'-amine
CID 167176354
3'-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729582
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168766908
N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508585
4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 158402025
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 166565662

Frequently Asked Questions

What is the IUPAC name of N-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine (CID 177114039) is N-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine is c1ccc2c(c1)-c1c(N(c3ccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)cc3)c3ccc4sc5ccccc5c4c3)cccc1C21c2cc(C3CCCCC3)ccc2-c2ccc(C3CCCCC3)cc21.
What is the InChIKey of N-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine?
The InChIKey is DMABEAAVGUMVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H59NS/c1-3-14-48(15-4-1)58-34-39-62-63-40-35-59(49-16-5-2-6-17-49)46-70(63)75(69(62)45-58)67-22-11-9-21-65(67)74-68(75)23-13-24-71(74)76(61-38-41-73-66(47-61)64-20-10-12-25-72(64)77-73)60-36-32-51(33-37-60)53-28-29-56-44-57(31-30-55(56)43-53)54-27-26-50-18-7-8-19-52(50)42-54/h7-13,18-49H,1-6,14-17H2.
What are the key properties of N-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine?
N-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine has a molecular weight of 1006.37 g/mol, XLogP of 21.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 177114039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).