N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine

C55H37NOS — CID 177121672

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4cccc5sc6ccccc6c45)cc3)cc21
InChIInChI=1S/C55H37NOS/c1-55(2)47-17-7-5-13-42(47)43-31-26-37(33-48(43)55)34-21-27-38(28-22-34)56(49-18-10-20-51-52(49)46-14-6-8-19-50(46)58-51)39-29-23-36(24-30-39)41-15-9-16-44-45-32-25-35-11-3-4-12-40(35)54(45)57-53(41)44/h3-33H,1-2H3
InChIKeyMGKCUEGZVPVAFT-UHFFFAOYSA-N
MW759.97 g/mol
LogP16.22
Rot. Bonds5

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine (PubChem CID 177121672) has the molecular formula C55H37NOS and a molecular weight of 759.97 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine
PubChem CID177121672
Molecular FormulaC55H37NOS
Molecular Weight759.97 g/mol
Exact Mass759.26
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4cccc5sc6ccccc6c45)cc3)cc21
InChIInChI=1S/C55H37NOS/c1-55(2)47-17-7-5-13-42(47)43-31-26-37(33-48(43)55)34-21-27-38(28-22-34)56(49-18-10-20-51-52(49)46-14-6-8-19-50(46)58-51)39-29-23-36(24-30-39)41-15-9-16-44-45-32-25-35-11-3-4-12-40(35)54(45)57-53(41)44/h3-33H,1-2H3
InChIKeyMGKCUEGZVPVAFT-UHFFFAOYSA-N
XLogP16.22
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.97
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzofuran-1-amine
CID 177121656
N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177121720
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-2-amine
CID 170042923
N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121543
9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)fluoren-2-amine
CID 168807300
N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 167143477
N-(9,9-dimethylfluoren-2-yl)-N-[2-[4-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-2-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-7-ylanilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-7-yl]anilino]phenyl]dibenzofuran-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]dibenzothiophen-3-amine
CID 166939747
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121496
N-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170241934
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 130466784

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine (CID 177121672) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4cccc5sc6ccccc6c45)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine?
The InChIKey is MGKCUEGZVPVAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NOS/c1-55(2)47-17-7-5-13-42(47)43-31-26-37(33-48(43)55)34-21-27-38(28-22-34)56(49-18-10-20-51-52(49)46-14-6-8-19-50(46)58-51)39-29-23-36(24-30-39)41-15-9-16-44-45-32-25-35-11-3-4-12-40(35)54(45)57-53(41)44/h3-33H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine has a molecular weight of 759.97 g/mol, XLogP of 16.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 177121672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).