N-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine

C53H36N2OS — CID 144585436

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4sc6ccccc6c4n5-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C53H36N2OS/c1-53(2)45-17-9-6-14-39(45)40-27-25-38(32-46(40)53)54(37-26-29-49-43(31-37)41-15-7-10-18-48(41)56-49)36-23-20-33(21-24-36)34-22-28-47-44(30-34)52-51(42-16-8-11-19-50(42)57-52)55(47)35-12-4-3-5-13-35/h3-32H,1-2H3
InChIKeyXWWYMXDBDYNSRT-UHFFFAOYSA-N
MW748.95 g/mol
LogP15.34
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine (PubChem CID 144585436) has the molecular formula C53H36N2OS and a molecular weight of 748.95 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine
PubChem CID144585436
Molecular FormulaC53H36N2OS
Molecular Weight748.95 g/mol
Exact Mass748.25
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4sc6ccccc6c4n5-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C53H36N2OS/c1-53(2)45-17-9-6-14-39(45)40-27-25-38(32-46(40)53)54(37-26-29-49-43(31-37)41-15-7-10-18-48(41)56-49)36-23-20-33(21-24-36)34-22-28-47-44(30-34)52-51(42-16-8-11-19-50(42)57-52)55(47)35-12-4-3-5-13-35/h3-32H,1-2H3
InChIKeyXWWYMXDBDYNSRT-UHFFFAOYSA-N
XLogP15.34
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.95
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[7-[7-[4-[4-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 139504991
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 160893583
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 89213172
N-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-[4-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;9,9-dimethyl-N,7-diphenyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine
CID 158113731
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159213224
7-deuterio-N-[4-[4-(8-deuteriodibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-deuterio-N-[4-[4-(8-deuteriodibenzothiophen-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-deuterio-N-[4-[4-(6-deuterio-9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(8-deuteriodibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;7-deuterio-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(8-deuteriodibenzothiophen-2-yl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;7-deuterio-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-deuterio-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160500090
N-[4-(4-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 140919493
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159673731
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 89213188
7-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 157365296
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]fluoren-2-amine
CID 67964272

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine (CID 144585436) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4sc6ccccc6c4n5-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine?
The InChIKey is XWWYMXDBDYNSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2OS/c1-53(2)45-17-9-6-14-39(45)40-27-25-38(32-46(40)53)54(37-26-29-49-43(31-37)41-15-7-10-18-48(41)56-49)36-23-20-33(21-24-36)34-22-28-47-44(30-34)52-51(42-16-8-11-19-50(42)57-52)55(47)35-12-4-3-5-13-35/h3-32H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 748.95 g/mol, XLogP of 15.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 144585436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).