N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine

C61H40N2S — CID 121424239

IUPACN-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)cccc32)cc1
InChIInChI=1S/C61H40N2S/c1-3-18-42(19-4-1)61(43-20-5-2-6-21-43)53-30-11-7-27-52(53)59-54(61)31-17-34-57(59)62(44-38-36-41(37-39-44)47-28-16-29-51-50-26-10-14-35-58(50)64-60(47)51)45-22-15-23-46(40-45)63-55-32-12-8-24-48(55)49-25-9-13-33-56(49)63/h1-40H
InChIKeyIXCJKNXOQKJQLO-UHFFFAOYSA-N
MW833.07 g/mol
LogP16.65
Rot. Bonds7

About N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine

N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 121424239) has the molecular formula C61H40N2S and a molecular weight of 833.07 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID121424239
Molecular FormulaC61H40N2S
Molecular Weight833.07 g/mol
Exact Mass832.29
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)cccc32)cc1
InChIInChI=1S/C61H40N2S/c1-3-18-42(19-4-1)61(43-20-5-2-6-21-43)53-30-11-7-27-52(53)59-54(61)31-17-34-57(59)62(44-38-36-41(37-39-44)47-28-16-29-51-50-26-10-14-35-58(50)64-60(47)51)45-22-15-23-46(40-45)63-55-32-12-8-24-48(55)49-25-9-13-33-56(49)63/h1-40H
InChIKeyIXCJKNXOQKJQLO-UHFFFAOYSA-N
XLogP16.65
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.07
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine
CID 121424390
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424236
N-(3-carbazol-9-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121381724
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423435
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121381523
N,N-bis[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424642
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381231
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381726
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424709
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424569
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424630
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine
CID 121423581

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 121424239) is N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)cccc32)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is IXCJKNXOQKJQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2S/c1-3-18-42(19-4-1)61(43-20-5-2-6-21-43)53-30-11-7-27-52(53)59-54(61)31-17-34-57(59)62(44-38-36-41(37-39-44)47-28-16-29-51-50-26-10-14-35-58(50)64-60(47)51)45-22-15-23-46(40-45)63-55-32-12-8-24-48(55)49-25-9-13-33-56(49)63/h1-40H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine?
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine has a molecular weight of 833.07 g/mol, XLogP of 16.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 121424239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).