N-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine

C61H42N2O — CID 58510875

IUPACN-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)cc21
InChIInChI=1S/C61H42N2O/c1-61(2)53-37-41(39-15-4-3-5-16-39)29-33-45(53)46-34-32-43(38-54(46)61)62(42-30-27-40(28-31-42)44-22-14-23-52-51-21-10-13-26-59(51)64-60(44)52)57-35-36-58(50-18-7-6-17-49(50)57)63-55-24-11-8-19-47(55)48-20-9-12-25-56(48)63/h3-38H,1-2H3
InChIKeyDOUMUQXAVKXZMR-UHFFFAOYSA-N
MW819.02 g/mol
LogP16.95
Rot. Bonds6

About N-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine

N-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine (PubChem CID 58510875) has the molecular formula C61H42N2O and a molecular weight of 819.02 g/mol. Its IUPAC name is N-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
PubChem CID58510875
Molecular FormulaC61H42N2O
Molecular Weight819.02 g/mol
Exact Mass818.33
IUPAC NameN-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)cc21
InChIInChI=1S/C61H42N2O/c1-61(2)53-37-41(39-15-4-3-5-16-39)29-33-45(53)46-34-32-43(38-54(46)61)62(42-30-27-40(28-31-42)44-22-14-23-52-51-21-10-13-26-59(51)64-60(44)52)57-35-36-58(50-18-7-6-17-49(50)57)63-55-24-11-8-19-47(55)48-20-9-12-25-56(48)63/h3-38H,1-2H3
InChIKeyDOUMUQXAVKXZMR-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

N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
4-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 58510780
7-carbazol-9-yl-N-[4-[3-[3-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 88848908
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 158906681
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 88534204
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]fluorene-2,7-diamine
CID 158626381
N-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90207151
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-[2-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[2-(4,5-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 165083133
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
7-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 157365296
N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161143878

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine?
The IUPAC name of N-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine (CID 58510875) is N-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)cc21.
What is the InChIKey of N-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine?
The InChIKey is DOUMUQXAVKXZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2O/c1-61(2)53-37-41(39-15-4-3-5-16-39)29-33-45(53)46-34-32-43(38-54(46)61)62(42-30-27-40(28-31-42)44-22-14-23-52-51-21-10-13-26-59(51)64-60(44)52)57-35-36-58(50-18-7-6-17-49(50)57)63-55-24-11-8-19-47(55)48-20-9-12-25-56(48)63/h3-38H,1-2H3.
What are the key properties of N-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine?
N-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-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 N-(4-carbazol-9-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine is sourced from PubChem (CID 58510875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).