N-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine

C61H41NO — CID 177280645

IUPACN-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccc4oc5ccccc5c4c3-c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C61H41NO/c1-4-17-42(18-5-1)44-31-35-49(36-32-44)62(50-37-33-48(34-38-50)61(47-23-8-3-9-24-47)54-28-13-10-25-51(54)52-26-11-14-29-55(52)61)56-39-40-58-60(53-27-12-15-30-57(53)63-58)59(56)46-22-16-21-45(41-46)43-19-6-2-7-20-43/h1-41H
InChIKeyJNEXBCBWUXKGPD-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.42
Rot. Bonds8

About N-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine

N-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 177280645) has the molecular formula C61H41NO and a molecular weight of 804.01 g/mol. Its IUPAC name is N-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID177280645
Molecular FormulaC61H41NO
Molecular Weight804.01 g/mol
Exact Mass803.32
IUPAC NameN-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccc4oc5ccccc5c4c3-c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C61H41NO/c1-4-17-42(18-5-1)44-31-35-49(36-32-44)62(50-37-33-48(34-38-50)61(47-23-8-3-9-24-47)54-28-13-10-25-51(54)52-26-11-14-29-55(52)61)56-39-40-58-60(53-27-12-15-30-57(53)63-58)59(56)46-22-16-21-45(41-46)43-19-6-2-7-20-43/h1-41H
InChIKeyJNEXBCBWUXKGPD-UHFFFAOYSA-N
XLogP16.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(9-phenylfluoren-9-yl)phenyl]-N,1-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281054
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 126701110
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176759858
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425112
4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 135195814
N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681080
N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 160590087
8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838
N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163940771
N,8-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine
CID 139384360
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-2-(3-phenylphenyl)aniline
CID 121381288

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 177280645) is N-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccc4oc5ccccc5c4c3-c3cccc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is JNEXBCBWUXKGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO/c1-4-17-42(18-5-1)44-31-35-49(36-32-44)62(50-37-33-48(34-38-50)61(47-23-8-3-9-24-47)54-28-13-10-25-51(54)52-26-11-14-29-55(52)61)56-39-40-58-60(53-27-12-15-30-57(53)63-58)59(56)46-22-16-21-45(41-46)43-19-6-2-7-20-43/h1-41H.
What are the key properties of N-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
N-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 804.01 g/mol, XLogP of 16.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 177280645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).