4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine

C61H42N2O — CID 176608294

IUPAC4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(oc6ccccc65)c4-c4ccccc4-n4c5ccccc5c5ccccc54)c4cccc5ccccc45)cc3)cc21
InChIInChI=1S/C61H42N2O/c1-61(2)51-24-10-5-19-44(51)45-35-32-41(38-52(45)61)39-30-33-42(34-31-39)62(53-28-15-17-40-16-3-4-18-43(40)53)57-37-36-49-48-22-9-14-29-58(48)64-60(49)59(57)50-23-8-13-27-56(50)63-54-25-11-6-20-46(54)47-21-7-12-26-55(47)63/h3-38H,1-2H3
InChIKeyLKPYPXXCBKHSAU-UHFFFAOYSA-N
MW819.02 g/mol
LogP16.95
Rot. Bonds6

About 4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine

4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine (PubChem CID 176608294) has the molecular formula C61H42N2O and a molecular weight of 819.02 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
PubChem CID176608294
Molecular FormulaC61H42N2O
Molecular Weight819.02 g/mol
Exact Mass818.33
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(oc6ccccc65)c4-c4ccccc4-n4c5ccccc5c5ccccc54)c4cccc5ccccc45)cc3)cc21
InChIInChI=1S/C61H42N2O/c1-61(2)51-24-10-5-19-44(51)45-35-32-41(38-52(45)61)39-30-33-42(34-31-39)62(53-28-15-17-40-16-3-4-18-43(40)53)57-37-36-49-48-22-9-14-29-58(48)64-60(49)59(57)50-23-8-13-27-56(50)63-54-25-11-6-20-46(54)47-21-7-12-26-55(47)63/h3-38H,1-2H3
InChIKeyLKPYPXXCBKHSAU-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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 176608690
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 164992580
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine
CID 176609885
4-(2-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176609274
N-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90207151
4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 176609664
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-triphenylen-2-yldibenzofuran-4-amine
CID 160951573
N-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 58510875
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 118198554
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176609179
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline;N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 165090747
N-[3-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 139544547

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine (CID 176608294) is 4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(oc6ccccc65)c4-c4ccccc4-n4c5ccccc5c5ccccc54)c4cccc5ccccc45)cc3)cc21.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?
The InChIKey is LKPYPXXCBKHSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2O/c1-61(2)51-24-10-5-19-44(51)45-35-32-41(38-52(45)61)39-30-33-42(34-31-39)62(53-28-15-17-40-16-3-4-18-43(40)53)57-37-36-49-48-22-9-14-29-58(48)64-60(49)59(57)50-23-8-13-27-56(50)63-54-25-11-6-20-46(54)47-21-7-12-26-55(47)63/h3-38H,1-2H3.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine?
4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-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-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine is sourced from PubChem (CID 176608294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).