N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine

C76H50N2O — CID 138577477

IUPACN-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cc21
InChIInChI=1S/C76H50N2O/c1-75(2)62-29-11-6-23-54(62)57-40-39-52(46-67(57)75)77(51-22-16-19-49(43-51)53-28-17-33-66-73(53)59-27-9-14-32-65(59)76(66)63-30-12-7-24-55(63)56-25-8-13-31-64(56)76)70-35-18-36-72-74(70)61-45-48(38-42-71(61)79-72)47-37-41-69-60(44-47)58-26-10-15-34-68(58)78(69)50-20-4-3-5-21-50/h3-46H,1-2H3
InChIKeyIUZOKERTXAKRDI-UHFFFAOYSA-N
MW1007.25 g/mol
LogP20.14
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine

N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine (PubChem CID 138577477) has the molecular formula C76H50N2O and a molecular weight of 1007.25 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine
PubChem CID138577477
Molecular FormulaC76H50N2O
Molecular Weight1007.25 g/mol
Exact Mass1006.39
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cc21
InChIInChI=1S/C76H50N2O/c1-75(2)62-29-11-6-23-54(62)57-40-39-52(46-67(57)75)77(51-22-16-19-49(43-51)53-28-17-33-66-73(53)59-27-9-14-32-65(59)76(66)63-30-12-7-24-55(63)56-25-8-13-31-64(56)76)70-35-18-36-72-74(70)61-45-48(38-42-71(61)79-72)47-37-41-69-60(44-47)58-26-10-15-34-68(58)78(69)50-20-4-3-5-21-50/h3-46H,1-2H3
InChIKeyIUZOKERTXAKRDI-UHFFFAOYSA-N
XLogP20.14
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.25
LogP ≤ 520.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138577333
N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138577550
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-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane
CID 158611261
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-2-amine
CID 165075228
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N,N-bis(2-methyl-4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N,N-bis(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-3-amine;2-methyl-N-(2-methyl-4-phenylphenyl)-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 165063997
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-3-yl)-N-(4-phenylphenyl)-8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-amine
CID 138484698
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-amine
CID 169060930
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129259019
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159673731
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine
CID 162059824

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine (CID 138577477) is N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is IUZOKERTXAKRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N2O/c1-75(2)62-29-11-6-23-54(62)57-40-39-52(46-67(57)75)77(51-22-16-19-49(43-51)53-28-17-33-66-73(53)59-27-9-14-32-65(59)76(66)63-30-12-7-24-55(63)56-25-8-13-31-64(56)76)70-35-18-36-72-74(70)61-45-48(38-42-71(61)79-72)47-37-41-69-60(44-47)58-26-10-15-34-68(58)78(69)50-20-4-3-5-21-50/h3-46H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine?
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 1007.25 g/mol, XLogP of 20.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 138577477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).