N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane

C70H51N3O — CID 158611261

IUPACN-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane
SMILESC.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cc21
InChIInChI=1S/C69H47N3O.CH4/c1-69(2)58-25-12-9-21-52(58)53-38-37-50(43-59(53)69)70(49-35-31-44(32-36-49)51-24-15-28-63-67(51)55-23-11-14-27-61(55)72(63)48-19-7-4-8-20-48)64-29-16-30-66-68(64)57-42-46(34-40-65(57)73-66)45-33-39-62-56(41-45)54-22-10-13-26-60(54)71(62)47-17-5-3-6-18-47;/h3-43H,1-2H3;1H4
InChIKeyHWWBWXCTYLVOTD-UHFFFAOYSA-N
MW950.20 g/mol
LogP19.53
Rot. Bonds7

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

N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane (PubChem CID 158611261) has the molecular formula C70H51N3O and a molecular weight of 950.20 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane
PubChem CID158611261
Molecular FormulaC70H51N3O
Molecular Weight950.20 g/mol
Exact Mass949.40
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane
SMILESC.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cc21
InChIInChI=1S/C69H47N3O.CH4/c1-69(2)58-25-12-9-21-52(58)53-38-37-50(43-59(53)69)70(49-35-31-44(32-36-49)51-24-15-28-63-67(51)55-23-11-14-27-61(55)72(63)48-19-7-4-8-20-48)64-29-16-30-66-68(64)57-42-46(34-40-65(57)73-66)45-33-39-62-56(41-45)54-22-10-13-26-60(54)71(62)47-17-5-3-6-18-47;/h3-43H,1-2H3;1H4
InChIKeyHWWBWXCTYLVOTD-UHFFFAOYSA-N
XLogP19.53
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.20
LogP ≤ 519.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 138577627
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-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577371
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-amine
CID 138484698
N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138577333
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)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine
CID 138577477
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]fluoren-1-amine
CID 121358600
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-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine
CID 138577308
N-[4-[7-[7-[4-[4-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 139504991
N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138484965

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane (CID 158611261) is N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane is C.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane?
The InChIKey is HWWBWXCTYLVOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N3O.CH4/c1-69(2)58-25-12-9-21-52(58)53-38-37-50(43-59(53)69)70(49-35-31-44(32-36-49)51-24-15-28-63-67(51)55-23-11-14-27-61(55)72(63)48-19-7-4-8-20-48)64-29-16-30-66-68(64)57-42-46(34-40-65(57)73-66)45-33-39-62-56(41-45)54-22-10-13-26-60(54)71(62)47-17-5-3-6-18-47;/h3-43H,1-2H3;1H4.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane?
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane has a molecular weight of 950.20 g/mol, XLogP of 19.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane is sourced from PubChem (CID 158611261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).