N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(9H-fluoren-2-yl)dibenzothiophen-4-amine

C53H34N2S — CID 121329704

IUPACN-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(9H-fluoren-2-yl)dibenzothiophen-4-amine
SMILESc1ccc2c(c1)Cc1cc(N(c3ccc(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)cc3)c3cccc4c3sc3ccccc34)ccc1-2
InChIInChI=1S/C53H34N2S/c1-4-13-44-36(10-1)24-31-49-52(44)47-15-5-7-17-48(47)55(49)40-27-22-35(23-28-40)34-20-25-39(26-21-34)54(41-29-30-43-38(33-41)32-37-11-2-3-12-42(37)43)50-18-9-16-46-45-14-6-8-19-51(45)56-53(46)50/h1-31,33H,32H2
InChIKeyTVOJYEZWXPUHSD-UHFFFAOYSA-N
MW730.94 g/mol
LogP15.01
Rot. Bonds5

About N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(9H-fluoren-2-yl)dibenzothiophen-4-amine

N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(9H-fluoren-2-yl)dibenzothiophen-4-amine (PubChem CID 121329704) has the molecular formula C53H34N2S and a molecular weight of 730.94 g/mol. Its IUPAC name is N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(9H-fluoren-2-yl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(9H-fluoren-2-yl)dibenzothiophen-4-amine
PubChem CID121329704
Molecular FormulaC53H34N2S
Molecular Weight730.94 g/mol
Exact Mass730.24
IUPAC NameN-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(9H-fluoren-2-yl)dibenzothiophen-4-amine
SMILESc1ccc2c(c1)Cc1cc(N(c3ccc(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)cc3)c3cccc4c3sc3ccccc34)ccc1-2
InChIInChI=1S/C53H34N2S/c1-4-13-44-36(10-1)24-31-49-52(44)47-15-5-7-17-48(47)55(49)40-27-22-35(23-28-40)34-20-25-39(26-21-34)54(41-29-30-43-38(33-41)32-37-11-2-3-12-42(37)43)50-18-9-16-46-45-14-6-8-19-51(45)56-53(46)50/h1-31,33H,32H2
InChIKeyTVOJYEZWXPUHSD-UHFFFAOYSA-N
XLogP15.01
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.94
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
CID 129119341
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;4-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;N,N-diphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 158348435
N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine
CID 167038184
N-(4-benzo[c]carbazol-7-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167038136
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine
CID 168809842
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170380092
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine
CID 163563367
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750
N-[4-[6-naphthalen-1-yl-9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 89492334
N,N-dinaphthalen-1-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N-dinaphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-amine;N-naphthalen-1-yl-5-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 160959389
N-phenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-1-amine
CID 89448210

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(9H-fluoren-2-yl)dibenzothiophen-4-amine?
The IUPAC name of N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(9H-fluoren-2-yl)dibenzothiophen-4-amine (CID 121329704) is N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(9H-fluoren-2-yl)dibenzothiophen-4-amine.
What is the SMILES notation for N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(9H-fluoren-2-yl)dibenzothiophen-4-amine?
The canonical SMILES for N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(9H-fluoren-2-yl)dibenzothiophen-4-amine is c1ccc2c(c1)Cc1cc(N(c3ccc(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)cc3)c3cccc4c3sc3ccccc34)ccc1-2.
What is the InChIKey of N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(9H-fluoren-2-yl)dibenzothiophen-4-amine?
The InChIKey is TVOJYEZWXPUHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2S/c1-4-13-44-36(10-1)24-31-49-52(44)47-15-5-7-17-48(47)55(49)40-27-22-35(23-28-40)34-20-25-39(26-21-34)54(41-29-30-43-38(33-41)32-37-11-2-3-12-42(37)43)50-18-9-16-46-45-14-6-8-19-51(45)56-53(46)50/h1-31,33H,32H2.
What are the key properties of N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(9H-fluoren-2-yl)dibenzothiophen-4-amine?
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(9H-fluoren-2-yl)dibenzothiophen-4-amine has a molecular weight of 730.94 g/mol, XLogP of 15.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(9H-fluoren-2-yl)dibenzothiophen-4-amine is sourced from PubChem (CID 121329704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).