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

C67H46N2O — CID 176608690

IUPAC4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5ccccc45)c4ccc5c(oc6ccccc65)c4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc21
InChIInChI=1S/C67H46N2O/c1-67(2)58-25-10-5-19-51(58)52-39-34-46(42-59(52)67)43-30-35-48(36-31-43)69(60-26-11-6-20-53(60)50-24-15-17-44-16-3-4-18-49(44)50)63-41-40-57-56-23-9-14-29-64(56)70-66(57)65(63)45-32-37-47(38-33-45)68-61-27-12-7-21-54(61)55-22-8-13-28-62(55)68/h3-42H,1-2H3
InChIKeyZBJOXURULCKMLI-UHFFFAOYSA-N
MW895.12 g/mol
LogP18.61
Rot. Bonds7

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

4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine (PubChem CID 176608690) has the molecular formula C67H46N2O and a molecular weight of 895.12 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
PubChem CID176608690
Molecular FormulaC67H46N2O
Molecular Weight895.12 g/mol
Exact Mass894.36
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5ccccc45)c4ccc5c(oc6ccccc65)c4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc21
InChIInChI=1S/C67H46N2O/c1-67(2)58-25-10-5-19-51(58)52-39-34-46(42-59(52)67)43-30-35-48(36-31-43)69(60-26-11-6-20-53(60)50-24-15-17-44-16-3-4-18-49(44)50)63-41-40-57-56-23-9-14-29-64(56)70-66(57)65(63)45-32-37-47(38-33-45)68-61-27-12-7-21-54(61)55-22-8-13-28-62(55)68/h3-42H,1-2H3
InChIKeyZBJOXURULCKMLI-UHFFFAOYSA-N
XLogP18.61
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.12
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 176609664
4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608294
4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 176608527
4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 176607739
4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176608752
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine
CID 176609471
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608424
7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-2-amine
CID 161094589
N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzofuran-4-amine
CID 158810428
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 118198554
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine
CID 71038532
4-(4-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-2-yldibenzofuran-1-amine
CID 176609217

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine (CID 176608690) is 4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5ccccc45)c4ccc5c(oc6ccccc65)c4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc21.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The InChIKey is ZBJOXURULCKMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2O/c1-67(2)58-25-10-5-19-51(58)52-39-34-46(42-59(52)67)43-30-35-48(36-31-43)69(60-26-11-6-20-53(60)50-24-15-17-44-16-3-4-18-49(44)50)63-41-40-57-56-23-9-14-29-64(56)70-66(57)65(63)45-32-37-47(38-33-45)68-61-27-12-7-21-54(61)55-22-8-13-28-62(55)68/h3-42H,1-2H3.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine has a molecular weight of 895.12 g/mol, XLogP of 18.61, 7 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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 176608690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).