N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine

C63H41NOS — CID 169022341

IUPACN-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
SMILESCC1(c2cccc3c2oc2cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5c4sc4ccccc45)ccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C63H41NOS/c1-62(52-28-12-8-22-44(52)45-23-9-13-29-53(45)62)55-31-16-26-50-48-37-35-43(39-58(48)65-60(50)55)64(57-32-17-27-51-49-25-11-15-33-59(49)66-61(51)57)42-34-36-47-46-24-10-14-30-54(46)63(56(47)38-42,40-18-4-2-5-19-40)41-20-6-3-7-21-41/h2-39H,1H3
InChIKeyXYMUGYVLMGHJDC-UHFFFAOYSA-N
MW860.09 g/mol
LogP17.12
Rot. Bonds6

About N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine

N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine (PubChem CID 169022341) has the molecular formula C63H41NOS and a molecular weight of 860.09 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
PubChem CID169022341
Molecular FormulaC63H41NOS
Molecular Weight860.09 g/mol
Exact Mass859.29
IUPAC NameN-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
SMILESCC1(c2cccc3c2oc2cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5c4sc4ccccc45)ccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C63H41NOS/c1-62(52-28-12-8-22-44(52)45-23-9-13-29-53(45)62)55-31-16-26-50-48-37-35-43(39-58(48)65-60(50)55)64(57-32-17-27-51-49-25-11-15-33-59(49)66-61(51)57)42-34-36-47-46-24-10-14-30-54(46)63(56(47)38-42,40-18-4-2-5-19-40)41-20-6-3-7-21-41/h2-39H,1H3
InChIKeyXYMUGYVLMGHJDC-UHFFFAOYSA-N
XLogP17.12
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.09
LogP ≤ 517.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine
CID 169022269
N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169021968
8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 170235198
N-(3-dibenzofuran-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-4-amine
CID 162115385
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine
CID 169022127
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
N-dibenzofuran-3-yl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-4-amine
CID 159394304
N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 163990371
N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(2-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 159645825
N-(9,9-diphenylfluoren-2-yl)-N-naphtho[1,2-b][1]benzothiol-10-yldibenzofuran-4-amine
CID 177121927
N-(9,9-diphenylfluoren-2-yl)-N-phenyl-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 165083626
N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 163907356

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine (CID 169022341) is N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine is CC1(c2cccc3c2oc2cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5c4sc4ccccc45)ccc23)c2ccccc2-c2ccccc21.
What is the InChIKey of N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine?
The InChIKey is XYMUGYVLMGHJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41NOS/c1-62(52-28-12-8-22-44(52)45-23-9-13-29-53(45)62)55-31-16-26-50-48-37-35-43(39-58(48)65-60(50)55)64(57-32-17-27-51-49-25-11-15-33-59(49)66-61(51)57)42-34-36-47-46-24-10-14-30-54(46)63(56(47)38-42,40-18-4-2-5-19-40)41-20-6-3-7-21-41/h2-39H,1H3.
What are the key properties of N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine?
N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine has a molecular weight of 860.09 g/mol, XLogP of 17.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine is sourced from PubChem (CID 169022341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).