N-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine

C61H41NOS — CID 170675331

IUPACN-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4oc5cc6ccccc6cc5c4cc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc21
InChIInChI=1S/C61H41NOS/c1-61(2)54-21-10-8-17-47(54)48-32-27-43(34-55(48)61)51-37-58-53(52-33-41-15-6-7-16-42(41)35-57(52)63-58)36-56(51)62(44-28-23-39(24-29-44)38-13-4-3-5-14-38)45-30-25-40(26-31-45)46-19-12-20-50-49-18-9-11-22-59(49)64-60(46)50/h3-37H,1-2H3
InChIKeyIZVOGKJQUMVYKS-UHFFFAOYSA-N
MW836.07 g/mol
LogP17.88
Rot. Bonds6

About N-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine

N-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 170675331) has the molecular formula C61H41NOS and a molecular weight of 836.07 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
PubChem CID170675331
Molecular FormulaC61H41NOS
Molecular Weight836.07 g/mol
Exact Mass835.29
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4oc5cc6ccccc6cc5c4cc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc21
InChIInChI=1S/C61H41NOS/c1-61(2)54-21-10-8-17-47(54)48-32-27-43(34-55(48)61)51-37-58-53(52-33-41-15-6-7-16-42(41)35-57(52)63-58)36-56(51)62(44-28-23-39(24-29-44)38-13-4-3-5-14-38)45-30-25-40(26-31-45)46-19-12-20-50-49-18-9-11-22-59(49)64-60(46)50/h3-37H,1-2H3
InChIKeyIZVOGKJQUMVYKS-UHFFFAOYSA-N
XLogP17.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.07
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170675645
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)-N-(9,9-dimethylfluoren-2-yl)-17-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine
CID 171433298
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160975238
N-(2-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176987143
5-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 138519580
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 70808719
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
2-N,7-N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;7-dibenzothiophen-4-yl-N-[4-[4-(N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline;4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159051141
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine
CID 67964472

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine (CID 170675331) is N-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(-c3cc4oc5cc6ccccc6cc5c4cc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc21.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is IZVOGKJQUMVYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NOS/c1-61(2)54-21-10-8-17-47(54)48-32-27-43(34-55(48)61)51-37-58-53(52-33-41-15-6-7-16-42(41)35-57(52)63-58)36-56(51)62(44-28-23-39(24-29-44)38-13-4-3-5-14-38)45-30-25-40(26-31-45)46-19-12-20-50-49-18-9-11-22-59(49)64-60(46)50/h3-37H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine has a molecular weight of 836.07 g/mol, XLogP of 17.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 170675331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).