N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine

C59H40N2O — CID 138484797

IUPACN-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3cccc4oc5ccc(-c6ccc7c(c6)c6cc8ccccc8cc6n7-c6ccccc6)cc5c34)cccc21
InChIInChI=1S/C59H40N2O/c1-59(2)49-21-11-10-20-45(49)57-50(59)22-12-23-52(57)61(44-29-26-37-14-6-7-15-38(37)32-44)53-24-13-25-56-58(53)48-35-42(28-31-55(48)62-56)41-27-30-51-46(34-41)47-33-39-16-8-9-17-40(39)36-54(47)60(51)43-18-4-3-5-19-43/h3-36H,1-2H3
InChIKeyXDTHQEYZOLOTGA-UHFFFAOYSA-N
MW792.98 g/mol
LogP16.43
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine

N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine (PubChem CID 138484797) has the molecular formula C59H40N2O and a molecular weight of 792.98 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine
PubChem CID138484797
Molecular FormulaC59H40N2O
Molecular Weight792.98 g/mol
Exact Mass792.31
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3cccc4oc5ccc(-c6ccc7c(c6)c6cc8ccccc8cc6n7-c6ccccc6)cc5c34)cccc21
InChIInChI=1S/C59H40N2O/c1-59(2)49-21-11-10-20-45(49)57-50(59)22-12-23-52(57)61(44-29-26-37-14-6-7-15-38(37)32-44)53-24-13-25-56-58(53)48-35-42(28-31-55(48)62-56)41-27-30-51-46(34-41)47-33-39-16-8-9-17-40(39)36-54(47)60(51)43-18-4-3-5-19-43/h3-36H,1-2H3
InChIKeyXDTHQEYZOLOTGA-UHFFFAOYSA-N
XLogP16.43
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.98
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-8-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484881
N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138484965
N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165103115
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577371
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine
CID 138577308
N-dibenzofuran-3-yl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165012429
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine
CID 171727025
N-(9,9-dimethylfluoren-4-yl)-6-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169060749
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-amine
CID 140910652
N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 167095022
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437
N-(9,9-dimethylfluoren-4-yl)-15,15-dimethyl-11-phenyl-N-(4-phenylphenyl)-11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-amine
CID 135273915

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine (CID 138484797) is N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3cccc4oc5ccc(-c6ccc7c(c6)c6cc8ccccc8cc6n7-c6ccccc6)cc5c34)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine?
The InChIKey is XDTHQEYZOLOTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2O/c1-59(2)49-21-11-10-20-45(49)57-50(59)22-12-23-52(57)61(44-29-26-37-14-6-7-15-38(37)32-44)53-24-13-25-56-58(53)48-35-42(28-31-55(48)62-56)41-27-30-51-46(34-41)47-33-39-16-8-9-17-40(39)36-54(47)60(51)43-18-4-3-5-19-43/h3-36H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine?
N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine has a molecular weight of 792.98 g/mol, XLogP of 16.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine is sourced from PubChem (CID 138484797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).