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

C67H44N2S — CID 121425052

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)ccc32)cc1
InChIInChI=1S/C67H44N2S/c1-3-15-49(16-4-1)67(50-17-5-2-6-18-50)61-23-11-7-19-55(61)60-44-54(40-42-62(60)67)68(52-36-31-47(32-37-52)48-33-41-59-58-22-10-14-26-65(58)70-66(59)43-48)51-34-27-45(28-35-51)46-29-38-53(39-30-46)69-63-24-12-8-20-56(63)57-21-9-13-25-64(57)69/h1-44H
InChIKeyBSOYYECDKAGHNB-UHFFFAOYSA-N
MW909.17 g/mol
LogP18.32
Rot. Bonds8

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

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine (PubChem CID 121425052) has the molecular formula C67H44N2S and a molecular weight of 909.17 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine
PubChem CID121425052
Molecular FormulaC67H44N2S
Molecular Weight909.17 g/mol
Exact Mass908.32
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)ccc32)cc1
InChIInChI=1S/C67H44N2S/c1-3-15-49(16-4-1)67(50-17-5-2-6-18-50)61-23-11-7-19-55(61)60-44-54(40-42-62(60)67)68(52-36-31-47(32-37-52)48-33-41-59-58-22-10-14-26-65(58)70-66(59)43-48)51-34-27-45(28-35-51)46-29-38-53(39-30-46)69-63-24-12-8-20-56(63)57-21-9-13-25-64(57)69/h1-44H
InChIKeyBSOYYECDKAGHNB-UHFFFAOYSA-N
XLogP18.32
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.17
LogP ≤ 518.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424718
N,N-bis(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 159835426
N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine
CID 118462496
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424709
7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 121424797
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-dibenzothiophen-3-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839988
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine
CID 167322834
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
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
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-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine (CID 121425052) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)ccc32)cc1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine?
The InChIKey is BSOYYECDKAGHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2S/c1-3-15-49(16-4-1)67(50-17-5-2-6-18-50)61-23-11-7-19-55(61)60-44-54(40-42-62(60)67)68(52-36-31-47(32-37-52)48-33-41-59-58-22-10-14-26-65(58)70-66(59)43-48)51-34-27-45(28-35-51)46-29-38-53(39-30-46)69-63-24-12-8-20-56(63)57-21-9-13-25-64(57)69/h1-44H.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine has a molecular weight of 909.17 g/mol, XLogP of 18.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 121425052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).