4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine

C61H42N2O — CID 176609217

IUPAC4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc4ccccc4c3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4oc5ccccc5c34)cc21
InChIInChI=1S/C61H42N2O/c1-61(2)52-22-10-5-18-47(52)48-34-30-42(38-53(48)61)45-17-6-11-23-54(45)63(44-33-27-39-15-3-4-16-41(39)37-44)57-36-35-46(60-59(57)51-21-9-14-26-58(51)64-60)40-28-31-43(32-29-40)62-55-24-12-7-19-49(55)50-20-8-13-25-56(50)62/h3-38H,1-2H3
InChIKeyHJDUQVOBKGKZFE-UHFFFAOYSA-N
MW819.02 g/mol
LogP16.95
Rot. Bonds6

About 4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine

4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine (PubChem CID 176609217) has the molecular formula C61H42N2O and a molecular weight of 819.02 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine
PubChem CID176609217
Molecular FormulaC61H42N2O
Molecular Weight819.02 g/mol
Exact Mass818.33
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc4ccccc4c3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4oc5ccccc5c34)cc21
InChIInChI=1S/C61H42N2O/c1-61(2)52-22-10-5-18-47(52)48-34-30-42(38-53(48)61)45-17-6-11-23-54(45)63(44-33-27-39-15-3-4-16-41(39)37-44)57-36-35-46(60-59(57)51-21-9-14-26-58(51)64-60)40-28-31-43(32-29-40)62-55-24-12-7-19-49(55)50-20-8-13-25-56(50)62/h3-38H,1-2H3
InChIKeyHJDUQVOBKGKZFE-UHFFFAOYSA-N
XLogP16.95
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzofuran-1-amine
CID 176608048
4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenanthren-9-yldibenzofuran-1-amine
CID 176608016
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069471
4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 176609664
4-(3-carbazol-9-ylphenyl)-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176608070
4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 176608690
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-1-yl)-4-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 164965639
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 161439456
N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069498
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]fluoren-2-amine
CID 158211365
2-(9,9-dimethylfluoren-2-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304316
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58969347

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine (CID 176609217) is 4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc4ccccc4c3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4oc5ccccc5c34)cc21.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine?
The InChIKey is HJDUQVOBKGKZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2O/c1-61(2)52-22-10-5-18-47(52)48-34-30-42(38-53(48)61)45-17-6-11-23-54(45)63(44-33-27-39-15-3-4-16-41(39)37-44)57-36-35-46(60-59(57)51-21-9-14-26-58(51)64-60)40-28-31-43(32-29-40)62-55-24-12-7-19-49(55)50-20-8-13-25-56(50)62/h3-38H,1-2H3.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine?
4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine has a molecular weight of 819.02 g/mol, XLogP of 16.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine is sourced from PubChem (CID 176609217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).