N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine

C49H33NO — CID 140919212

IUPACN-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)Cc4ccccc4-5)cc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C49H33NO/c1-3-11-33(12-4-1)35-19-21-37(22-20-35)46-31-42(32-47-45-17-9-10-18-48(45)51-49(46)47)50(40-25-23-36(24-26-40)34-13-5-2-6-14-34)41-27-28-44-39(30-41)29-38-15-7-8-16-43(38)44/h1-28,30-32H,29H2
InChIKeyDFLCYBGMPYNPHX-UHFFFAOYSA-N
MW651.81 g/mol
LogP13.63
Rot. Bonds6

About N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine

N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 140919212) has the molecular formula C49H33NO and a molecular weight of 651.81 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID140919212
Molecular FormulaC49H33NO
Molecular Weight651.81 g/mol
Exact Mass651.26
IUPAC NameN-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)Cc4ccccc4-5)cc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C49H33NO/c1-3-11-33(12-4-1)35-19-21-37(22-20-35)46-31-42(32-47-45-17-9-10-18-48(45)51-49(46)47)50(40-25-23-36(24-26-40)34-13-5-2-6-14-34)41-27-28-44-39(30-41)29-38-15-7-8-16-43(38)44/h1-28,30-32H,29H2
InChIKeyDFLCYBGMPYNPHX-UHFFFAOYSA-N
XLogP13.63
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 140919310
N-(4-dibenzofuran-4-ylphenyl)-3-(9H-fluoren-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146516973
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 138548317
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine
CID 144724087
7-phenyl-N,N-bis(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-amine
CID 170536147
N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline
CID 167403227
4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 140919372
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-4-phenylaniline
CID 165068262
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N,4-diphenylaniline
CID 167132748
N-[4-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157330608
3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447918

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine (CID 140919212) is N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)Cc4ccccc4-5)cc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is DFLCYBGMPYNPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO/c1-3-11-33(12-4-1)35-19-21-37(22-20-35)46-31-42(32-47-45-17-9-10-18-48(45)51-49(46)47)50(40-25-23-36(24-26-40)34-13-5-2-6-14-34)41-27-28-44-39(30-41)29-38-15-7-8-16-43(38)44/h1-28,30-32H,29H2.
What are the key properties of N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine?
N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 651.81 g/mol, XLogP of 13.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 140919212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).