N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

C54H34N2OS — CID 164976974

IUPACN-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc4c(cc3-c3ccc5sc6ccccc6c5c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H34N2OS/c1-3-13-35(14-4-1)36-23-26-39(27-24-36)55(40-28-29-43-42-18-8-11-21-51(42)57-52(43)32-40)49-34-50-46(41-17-7-10-20-48(41)56(50)38-15-5-2-6-16-38)33-45(49)37-25-30-54-47(31-37)44-19-9-12-22-53(44)58-54/h1-34H
InChIKeyXAMYNSGTLXNRPO-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.85
Rot. Bonds6

About N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 164976974) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID164976974
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC NameN-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc4c(cc3-c3ccc5sc6ccccc6c5c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H34N2OS/c1-3-13-35(14-4-1)36-23-26-39(27-24-36)55(40-28-29-43-42-18-8-11-21-51(42)57-52(43)32-40)49-34-50-46(41-17-7-10-20-48(41)56(50)38-15-5-2-6-16-38)33-45(49)37-25-30-54-47(31-37)44-19-9-12-22-53(44)58-54/h1-34H
InChIKeyXAMYNSGTLXNRPO-UHFFFAOYSA-N
XLogP15.85
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.95
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814389
N-phenyl-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]dibenzofuran-3-amine
CID 129180955
N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine
CID 165155434
N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
3-dibenzofuran-1-yl-9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine;3-dibenzofuran-2-yl-9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 164993214
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042143
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine
CID 176607995
N-dibenzofuran-3-yl-N,9-diphenylcarbazol-1-amine;N-dibenzothiophen-3-yl-N,9-diphenylcarbazol-1-amine;N,N-diphenyl-9-(4-phenylphenyl)carbazol-1-amine;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-1-amine;N,7,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 165092289
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 158890240
9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 118333340
N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814711

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (CID 164976974) is N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc4c(cc3-c3ccc5sc6ccccc6c5c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is XAMYNSGTLXNRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-3-13-35(14-4-1)36-23-26-39(27-24-36)55(40-28-29-43-42-18-8-11-21-51(42)57-52(43)32-40)49-34-50-46(41-17-7-10-20-48(41)56(50)38-15-5-2-6-16-38)33-45(49)37-25-30-54-47(31-37)44-19-9-12-22-53(44)58-54/h1-34H.
What are the key properties of N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 758.95 g/mol, XLogP of 15.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 164976974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).