N-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C55H37NOS — CID 170241934

IUPACN-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4sc4ccccc45)c4c(c3)oc3c5ccccc5ccc34)cc21
InChIInChI=1S/C55H37NOS/c1-55(2)46-20-10-8-17-41(46)42-29-26-37(31-47(42)55)38-32-49(52-45-30-25-36-15-6-7-16-40(36)53(45)57-50(52)33-38)56(39-27-23-35(24-28-39)34-13-4-3-5-14-34)48-21-12-19-44-43-18-9-11-22-51(43)58-54(44)48/h3-33H,1-2H3
InChIKeyZXXVWTGZCDJLFW-UHFFFAOYSA-N
MW759.97 g/mol
LogP16.22
Rot. Bonds5

About N-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 170241934) has the molecular formula C55H37NOS and a molecular weight of 759.97 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID170241934
Molecular FormulaC55H37NOS
Molecular Weight759.97 g/mol
Exact Mass759.26
IUPAC NameN-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4sc4ccccc45)c4c(c3)oc3c5ccccc5ccc34)cc21
InChIInChI=1S/C55H37NOS/c1-55(2)46-20-10-8-17-41(46)42-29-26-37(31-47(42)55)38-32-49(52-45-30-25-36-15-6-7-16-40(36)53(45)57-50(52)33-38)56(39-27-23-35(24-28-39)34-13-4-3-5-14-34)48-21-12-19-44-43-18-9-11-22-51(43)58-54(44)48/h3-33H,1-2H3
InChIKeyZXXVWTGZCDJLFW-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-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170239260
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166939643
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166938730
N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169295694
N-dibenzothiophen-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738816
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737260
N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 167143477
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine
CID 177121672
N-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159250991
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine
CID 167330799
N-dibenzothiophen-4-yl-9-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170675281
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-naphthalen-2-ylphenyl)-N,2-bis(4-phenylphenyl)dibenzothiophen-4-amine
CID 160590629

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 170241934) is N-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is CC1(C)c2ccccc2-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4sc4ccccc45)c4c(c3)oc3c5ccccc5ccc34)cc21.
What is the InChIKey of N-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is ZXXVWTGZCDJLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NOS/c1-55(2)46-20-10-8-17-41(46)42-29-26-37(31-47(42)55)38-32-49(52-45-30-25-36-15-6-7-16-40(36)53(45)57-50(52)33-38)56(39-27-23-35(24-28-39)34-13-4-3-5-14-34)48-21-12-19-44-43-18-9-11-22-51(43)58-54(44)48/h3-33H,1-2H3.
What are the key properties of N-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-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-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 170241934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).