N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine

C79H52N2S — CID 89426464

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cccc(-c7ccc(N(c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)c8ccc9sc%10ccccc%10c9c8)cc7)c6)c5)c4)ccc32)cc1
InChIInChI=1S/C79H52N2S/c1-4-25-61(26-5-1)79(62-27-6-2-7-28-62)73-34-13-10-31-67(73)68-44-42-66(52-74(68)79)80(65-43-46-78-72(51-65)70-33-12-15-36-77(70)82-78)64-40-37-53(38-41-64)54-19-16-20-55(47-54)56-21-17-22-57(48-56)58-23-18-24-59(49-58)60-39-45-76-71(50-60)69-32-11-14-35-75(69)81(76)63-29-8-3-9-30-63/h1-52H
InChIKeyHVHNFZHBONPZGZ-UHFFFAOYSA-N
MW1061.37 g/mol
LogP21.65
Rot. Bonds10

About N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine

N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine (PubChem CID 89426464) has the molecular formula C79H52N2S and a molecular weight of 1061.37 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
PubChem CID89426464
Molecular FormulaC79H52N2S
Molecular Weight1061.37 g/mol
Exact Mass1060.39
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cccc(-c7ccc(N(c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)c8ccc9sc%10ccccc%10c9c8)cc7)c6)c5)c4)ccc32)cc1
InChIInChI=1S/C79H52N2S/c1-4-25-61(26-5-1)79(62-27-6-2-7-28-62)73-34-13-10-31-67(73)68-44-42-66(52-74(68)79)80(65-43-46-78-72(51-65)70-33-12-15-36-77(70)82-78)64-40-37-53(38-41-64)54-19-16-20-55(47-54)56-21-17-22-57(48-56)58-23-18-24-59(49-58)60-39-45-76-71(50-60)69-32-11-14-35-75(69)81(76)63-29-8-3-9-30-63/h1-52H
InChIKeyHVHNFZHBONPZGZ-UHFFFAOYSA-N
XLogP21.65
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.37
LogP ≤ 521.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641615
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 162233532
3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 158582556
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424718
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzothiophen-3-amine
CID 160655489
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 157084846
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;5-(3,5-diphenylphenyl)-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 165027363
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 121424797

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine (CID 89426464) is N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cccc(-c7ccc(N(c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)c8ccc9sc%10ccccc%10c9c8)cc7)c6)c5)c4)ccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine?
The InChIKey is HVHNFZHBONPZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H52N2S/c1-4-25-61(26-5-1)79(62-27-6-2-7-28-62)73-34-13-10-31-67(73)68-44-42-66(52-74(68)79)80(65-43-46-78-72(51-65)70-33-12-15-36-77(70)82-78)64-40-37-53(38-41-64)54-19-16-20-55(47-54)56-21-17-22-57(48-56)58-23-18-24-59(49-58)60-39-45-76-71(50-60)69-32-11-14-35-75(69)81(76)63-29-8-3-9-30-63/h1-52H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine has a molecular weight of 1061.37 g/mol, XLogP of 21.65, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 89426464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).