N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine

C63H45NO — CID 168789334

IUPACN-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C63H45NO/c1-63(2)57-32-14-11-24-50(57)51-40-39-46(41-58(51)63)64(45-37-35-44(36-38-45)49-29-18-31-56-53-26-13-16-34-60(53)65-62(49)56)59-33-15-12-25-52(59)55-30-17-28-48(43-21-7-4-8-22-43)61(55)54-27-10-9-23-47(54)42-19-5-3-6-20-42/h3-41H,1-2H3
InChIKeySDPGMFRPKBJLHY-UHFFFAOYSA-N
MW832.06 g/mol
LogP17.70
Rot. Bonds8

About N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine (PubChem CID 168789334) has the molecular formula C63H45NO and a molecular weight of 832.06 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
PubChem CID168789334
Molecular FormulaC63H45NO
Molecular Weight832.06 g/mol
Exact Mass831.35
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C63H45NO/c1-63(2)57-32-14-11-24-50(57)51-40-39-46(41-58(51)63)64(45-37-35-44(36-38-45)49-29-18-31-56-53-26-13-16-34-60(53)65-62(49)56)59-33-15-12-25-52(59)55-30-17-28-48(43-21-7-4-8-22-43)61(55)54-27-10-9-23-47(54)42-19-5-3-6-20-42/h3-41H,1-2H3
InChIKeySDPGMFRPKBJLHY-UHFFFAOYSA-N
XLogP17.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.06
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130379490
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]fluoren-2-amine
CID 169280347
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 154960896
N-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-19-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine
CID 176597923
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170143021
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine
CID 176607730
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine (CID 168789334) is N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is SDPGMFRPKBJLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45NO/c1-63(2)57-32-14-11-24-50(57)51-40-39-46(41-58(51)63)64(45-37-35-44(36-38-45)49-29-18-31-56-53-26-13-16-34-60(53)65-62(49)56)59-33-15-12-25-52(59)55-30-17-28-48(43-21-7-4-8-22-43)61(55)54-27-10-9-23-47(54)42-19-5-3-6-20-42/h3-41H,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 832.06 g/mol, XLogP of 17.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 168789334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).