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

C49H33NOS — CID 177121543

IUPACN-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4oc4c6ccccc6ccc54)cc3)cccc21
InChIInChI=1S/C49H33NOS/c1-49(2)41-17-7-5-14-39(41)46-34(15-9-18-42(46)49)31-21-24-32(25-22-31)50(33-26-28-45-40(29-33)36-13-6-8-20-44(36)52-45)43-19-10-16-37-38-27-23-30-11-3-4-12-35(30)47(38)51-48(37)43/h3-29H,1-2H3
InChIKeyNETSRZQECXHASN-UHFFFAOYSA-N
MW683.88 g/mol
LogP14.55
Rot. Bonds4

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

N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 177121543) has the molecular formula C49H33NOS and a molecular weight of 683.88 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID177121543
Molecular FormulaC49H33NOS
Molecular Weight683.88 g/mol
Exact Mass683.23
IUPAC NameN-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4oc4c6ccccc6ccc54)cc3)cccc21
InChIInChI=1S/C49H33NOS/c1-49(2)41-17-7-5-14-39(41)46-34(15-9-18-42(46)49)31-21-24-32(25-22-31)50(33-26-28-45-40(29-33)36-13-6-8-20-44(36)52-45)43-19-10-16-37-38-27-23-30-11-3-4-12-35(30)47(38)51-48(37)43/h3-29H,1-2H3
InChIKeyNETSRZQECXHASN-UHFFFAOYSA-N
XLogP14.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.88
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177121720
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121792
4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 177121652
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 177113961
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzothiophen-1-amine
CID 177121672
N-benzo[g]phenanthren-4-yl-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-amine
CID 167184480
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-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122090
N-(4-chrysen-5-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-3-amine
CID 170140279
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 155153832
N-dibenzothiophen-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739402

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine (CID 177121543) is N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4oc4c6ccccc6ccc54)cc3)cccc21.
What is the InChIKey of N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is NETSRZQECXHASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NOS/c1-49(2)41-17-7-5-14-39(41)46-34(15-9-18-42(46)49)31-21-24-32(25-22-31)50(33-26-28-45-40(29-33)36-13-6-8-20-44(36)52-45)43-19-10-16-37-38-27-23-30-11-3-4-12-35(30)47(38)51-48(37)43/h3-29H,1-2H3.
What are the key properties of N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 683.88 g/mol, XLogP of 14.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 177121543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).