N-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine

C51H34N2S2 — CID 126702771

IUPACN-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)[nH]c1ccc(-c2ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4sc4ccccc45)cc2)cc13
InChIInChI=1S/C51H34N2S2/c1-51(2)41-16-6-3-11-33(41)38-28-40-39-27-31(23-26-43(39)52-44(40)29-42(38)51)30-21-24-32(25-22-30)53(45-17-9-14-36-34-12-4-7-19-47(34)54-49(36)45)46-18-10-15-37-35-13-5-8-20-48(35)55-50(37)46/h3-29,52H,1-2H3
InChIKeyVUGAZBDMHTVYAC-UHFFFAOYSA-N
MW738.98 g/mol
LogP15.50
Rot. Bonds4

About N-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine

N-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 126702771) has the molecular formula C51H34N2S2 and a molecular weight of 738.98 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine
PubChem CID126702771
Molecular FormulaC51H34N2S2
Molecular Weight738.98 g/mol
Exact Mass738.22
IUPAC NameN-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)[nH]c1ccc(-c2ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4sc4ccccc45)cc2)cc13
InChIInChI=1S/C51H34N2S2/c1-51(2)41-16-6-3-11-33(41)38-28-40-39-27-31(23-26-43(39)52-44(40)29-42(38)51)30-21-24-32(25-22-30)53(45-17-9-14-36-34-12-4-7-19-47(34)54-49(36)45)46-18-10-15-37-35-13-5-8-20-48(35)55-50(37)46/h3-29,52H,1-2H3
InChIKeyVUGAZBDMHTVYAC-UHFFFAOYSA-N
XLogP15.50
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.98
LogP ≤ 515.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 172544925
N-[4-(4-phenylphenyl)phenyl]-N-(6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-yl)dibenzothiophen-4-amine
CID 138455824
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177114078
N,N-bis(4-dibenzothiophen-4-ylphenyl)-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine
CID 155095555
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine
CID 126702918
N-(2-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176987143
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
CID 167197274
N-(9,9-dimethylfluoren-2-yl)-N-(7,7-dimethyl-9-naphthalen-2-ylbenzo[a]phenalen-1-yl)dibenzothiophen-4-amine
CID 167232236
9,9-dimethyl-N-[4-(6-phenyl-9H-carbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155383152
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740
N-[4-(9H-carbazol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59306861

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine (CID 126702771) is N-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine is CC1(C)c2ccccc2-c2cc3c(cc21)[nH]c1ccc(-c2ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4sc4ccccc45)cc2)cc13.
What is the InChIKey of N-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is VUGAZBDMHTVYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2S2/c1-51(2)41-16-6-3-11-33(41)38-28-40-39-27-31(23-26-43(39)52-44(40)29-42(38)51)30-21-24-32(25-22-30)53(45-17-9-14-36-34-12-4-7-19-47(34)54-49(36)45)46-18-10-15-37-35-13-5-8-20-48(35)55-50(37)46/h3-29,52H,1-2H3.
What are the key properties of N-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine?
N-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 738.98 g/mol, XLogP of 15.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 126702771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).