N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine

C67H44N2O — CID 118505770

IUPACN-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
SMILESc1ccc(N(c2cccc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c5c4)c3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C67H44N2O/c1-4-21-49(22-5-1)67(50-23-6-2-7-24-50)61-31-13-10-28-55(61)56-38-35-54(44-62(56)67)68(51-25-8-3-9-26-51)52-27-17-20-47(41-52)45-18-16-19-46(40-45)48-34-37-58-57-29-11-14-32-63(57)69(64(58)42-48)53-36-39-66-60(43-53)59-30-12-15-33-65(59)70-66/h1-44H
InChIKeyPDHFOSOYEGJKCA-UHFFFAOYSA-N
MW893.10 g/mol
LogP17.85
Rot. Bonds8

About N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine

N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine (PubChem CID 118505770) has the molecular formula C67H44N2O and a molecular weight of 893.10 g/mol. Its IUPAC name is N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
PubChem CID118505770
Molecular FormulaC67H44N2O
Molecular Weight893.10 g/mol
Exact Mass892.35
IUPAC NameN-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
SMILESc1ccc(N(c2cccc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c5c4)c3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C67H44N2O/c1-4-21-49(22-5-1)67(50-23-6-2-7-24-50)61-31-13-10-28-55(61)56-38-35-54(44-62(56)67)68(51-25-8-3-9-26-51)52-27-17-20-47(41-52)45-18-16-19-46(40-45)48-34-37-58-57-29-11-14-32-63(57)69(64(58)42-48)53-36-39-66-60(43-53)59-30-12-15-33-65(59)70-66/h1-44H
InChIKeyPDHFOSOYEGJKCA-UHFFFAOYSA-N
XLogP17.85
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.10
LogP ≤ 517.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 89426453
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
CID 118505684
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 129085062
N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 118682510
N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[3-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]dibenzofuran-3-amine
CID 157487069
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424697
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 118265823
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121425002

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?
The IUPAC name of N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine (CID 118505770) is N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine.
What is the SMILES notation for N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?
The canonical SMILES for N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine is c1ccc(N(c2cccc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c5c4)c3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?
The InChIKey is PDHFOSOYEGJKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2O/c1-4-21-49(22-5-1)67(50-23-6-2-7-24-50)61-31-13-10-28-55(61)56-38-35-54(44-62(56)67)68(51-25-8-3-9-26-51)52-27-17-20-47(41-52)45-18-16-19-46(40-45)48-34-37-58-57-29-11-14-32-63(57)69(64(58)42-48)53-36-39-66-60(43-53)59-30-12-15-33-65(59)70-66/h1-44H.
What are the key properties of N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine?
N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine has a molecular weight of 893.10 g/mol, XLogP of 17.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 118505770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).