N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine

C49H33NOS — CID 170044045

IUPACN-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5c4sc4ccc6ccccc6c45)cc3)c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C49H33NOS/c1-49(2)42-16-7-5-12-37(42)40-28-33(23-25-43(40)49)50(34-24-26-45-41(29-34)38-13-6-8-17-44(38)51-45)32-21-18-31(19-22-32)36-14-9-15-39-47-35-11-4-3-10-30(35)20-27-46(47)52-48(36)39/h3-29H,1-2H3
InChIKeyNKZZRKNBTHPMJO-UHFFFAOYSA-N
MW683.88 g/mol
LogP14.55
Rot. Bonds4

About N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine

N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine (PubChem CID 170044045) has the molecular formula C49H33NOS and a molecular weight of 683.88 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine
PubChem CID170044045
Molecular FormulaC49H33NOS
Molecular Weight683.88 g/mol
Exact Mass683.23
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5c4sc4ccc6ccccc6c45)cc3)c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C49H33NOS/c1-49(2)42-16-7-5-12-37(42)40-28-33(23-25-43(40)49)50(34-24-26-45-41(29-34)38-13-6-8-17-44(38)51-45)32-21-18-31(19-22-32)36-14-9-15-39-47-35-11-4-3-10-30(35)20-27-46(47)52-48(36)39/h3-29H,1-2H3
InChIKeyNKZZRKNBTHPMJO-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

Analyze N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-N-(3-phenylphenyl)fluoren-2-amine
CID 170043862
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine
CID 167182629
N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 170140187
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
N-chrysen-5-yl-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-2-amine
CID 170140041
N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 139556418
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
N-(4-dibenzofuran-2-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 161220626
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine
CID 170044096
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
1-N-dibenzofuran-3-yl-5-dibenzothiophen-2-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-5-dibenzothiophen-2-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-5-(4-phenyldibenzothiophen-2-yl)benzene-1,3-diamine
CID 158012265
N-dibenzofuran-2-yl-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-dibenzofuran-3-yl-N-(3-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine
CID 158236327

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine (CID 170044045) is N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5c4sc4ccc6ccccc6c45)cc3)c3ccc4oc5ccccc5c4c3)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine?
The InChIKey is NKZZRKNBTHPMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NOS/c1-49(2)42-16-7-5-12-37(42)40-28-33(23-25-43(40)49)50(34-24-26-45-41(29-34)38-13-6-8-17-44(38)51-45)32-21-18-31(19-22-32)36-14-9-15-39-47-35-11-4-3-10-30(35)20-27-46(47)52-48(36)39/h3-29H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine?
N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-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-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 170044045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).