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

C55H37NOS — CID 176844498

IUPAC6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5c(-c6cccc7sc8ccccc8c67)cc6ccccc6c5c4c3)cc21
InChIInChI=1S/C55H37NOS/c1-55(2)47-20-10-8-17-41(47)42-29-27-39(33-48(42)55)56(37-25-23-35(24-26-37)34-13-4-3-5-14-34)38-28-30-49-46(32-38)53-40-16-7-6-15-36(40)31-45(54(53)57-49)43-19-12-22-51-52(43)44-18-9-11-21-50(44)58-51/h3-33H,1-2H3
InChIKeyNBUHATSFUQNESH-UHFFFAOYSA-N
MW759.97 g/mol
LogP16.22
Rot. Bonds5

About 6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine

6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 176844498) has the molecular formula C55H37NOS and a molecular weight of 759.97 g/mol. Its IUPAC name is 6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound Name6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
PubChem CID176844498
Molecular FormulaC55H37NOS
Molecular Weight759.97 g/mol
Exact Mass759.26
IUPAC Name6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5c(-c6cccc7sc8ccccc8c67)cc6ccccc6c5c4c3)cc21
InChIInChI=1S/C55H37NOS/c1-55(2)47-20-10-8-17-41(47)42-29-27-39(33-48(42)55)56(37-25-23-35(24-26-37)34-13-4-3-5-14-34)38-28-30-49-46(32-38)53-40-16-7-6-15-36(40)31-45(54(53)57-49)43-19-12-22-51-52(43)44-18-9-11-21-50(44)58-51/h3-33H,1-2H3
InChIKeyNBUHATSFUQNESH-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-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160868259
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 172508899
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
CID 169296337
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170301437
N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-17-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050200
9,9-dimethyl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167132696
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964174
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043365
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043418
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 165052163

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of 6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (CID 176844498) is 6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for 6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for 6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5c(-c6cccc7sc8ccccc8c67)cc6ccccc6c5c4c3)cc21.
What is the InChIKey of 6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is NBUHATSFUQNESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NOS/c1-55(2)47-20-10-8-17-41(47)42-29-27-39(33-48(42)55)56(37-25-23-35(24-26-37)34-13-4-3-5-14-34)38-28-30-49-46(32-38)53-40-16-7-6-15-36(40)31-45(54(53)57-49)43-19-12-22-51-52(43)44-18-9-11-21-50(44)58-51/h3-33H,1-2H3.
What are the key properties of 6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-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 6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 176844498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).