N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine

C55H37NOS — CID 167143477

IUPACN-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4c5cccc(-c6ccc(N(c7ccccc7)c7cccc8c7sc7ccccc78)cc6)c5oc4c4ccccc34)cc21
InChIInChI=1S/C55H37NOS/c1-55(2)48-23-10-8-17-40(48)41-31-28-35(32-49(41)55)46-33-47-44-21-12-20-38(52(44)57-53(47)43-19-7-6-16-39(43)46)34-26-29-37(30-27-34)56(36-14-4-3-5-15-36)50-24-13-22-45-42-18-9-11-25-51(42)58-54(45)50/h3-33H,1-2H3
InChIKeyTWOWGKHNACMFNL-UHFFFAOYSA-N
MW759.97 g/mol
LogP16.22
Rot. Bonds5

About N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine

N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine (PubChem CID 167143477) has the molecular formula C55H37NOS and a molecular weight of 759.97 g/mol. Its IUPAC name is N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine
PubChem CID167143477
Molecular FormulaC55H37NOS
Molecular Weight759.97 g/mol
Exact Mass759.26
IUPAC NameN-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4c5cccc(-c6ccc(N(c7ccccc7)c7cccc8c7sc7ccccc78)cc6)c5oc4c4ccccc34)cc21
InChIInChI=1S/C55H37NOS/c1-55(2)48-23-10-8-17-40(48)41-31-28-35(32-49(41)55)46-33-47-44-21-12-20-38(52(44)57-53(47)43-19-7-6-16-39(43)46)34-26-29-37(30-27-34)56(36-14-4-3-5-15-36)50-24-13-22-45-42-18-9-11-25-51(42)58-54(45)50/h3-33H,1-2H3
InChIKeyTWOWGKHNACMFNL-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

5-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 167143424
N-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 167402199
N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 167403354
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160559778
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176
N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295434
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine
CID 177121672
N-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170241934
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
CID 167197274
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144181

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine?
The IUPAC name of N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine (CID 167143477) is N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine is CC1(C)c2ccccc2-c2ccc(-c3cc4c5cccc(-c6ccc(N(c7ccccc7)c7cccc8c7sc7ccccc78)cc6)c5oc4c4ccccc34)cc21.
What is the InChIKey of N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine?
The InChIKey is TWOWGKHNACMFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NOS/c1-55(2)48-23-10-8-17-40(48)41-31-28-35(32-49(41)55)46-33-47-44-21-12-20-38(52(44)57-53(47)43-19-7-6-16-39(43)46)34-26-29-37(30-27-34)56(36-14-4-3-5-15-36)50-24-13-22-45-42-18-9-11-25-51(42)58-54(45)50/h3-33H,1-2H3.
What are the key properties of N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine?
N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-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-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 167143477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).