N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine

C51H41NO — CID 168802469

IUPACN-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2cc4ccccc4cc2-3)c2ccc3ccccc3c2-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C51H41NO/c1-50(2,3)35-22-24-36(25-23-35)52(37-26-27-39-43-29-33-14-6-7-15-34(33)30-44(43)51(4,5)45(39)31-37)46-28-21-32-13-8-9-16-38(32)48(46)42-19-12-18-41-40-17-10-11-20-47(40)53-49(41)42/h6-31H,1-5H3
InChIKeyZIZCUTPSNWOCDX-UHFFFAOYSA-N
MW683.90 g/mol
LogP14.63
Rot. Bonds4

About N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine

N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine (PubChem CID 168802469) has the molecular formula C51H41NO and a molecular weight of 683.90 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
PubChem CID168802469
Molecular FormulaC51H41NO
Molecular Weight683.90 g/mol
Exact Mass683.32
IUPAC NameN-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2cc4ccccc4cc2-3)c2ccc3ccccc3c2-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C51H41NO/c1-50(2,3)35-22-24-36(25-23-35)52(37-26-27-39-43-29-33-14-6-7-15-34(33)30-44(43)51(4,5)45(39)31-37)46-28-21-32-13-8-9-16-38(32)48(46)42-19-12-18-41-40-17-10-11-20-47(40)53-49(41)42/h6-31H,1-5H3
InChIKeyZIZCUTPSNWOCDX-UHFFFAOYSA-N
XLogP14.63
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.90
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 90140184
N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802215
N-(4-tert-butylphenyl)-N-(1-dibenzothiophen-1-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
CID 168802208
N-(4-tert-butylphenyl)-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
CID 168801945
N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802106
5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633429
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168801947
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802375
N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine
CID 164774734
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine
CID 168801779
6-dibenzofuran-4-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169295348
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168802268

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine (CID 168802469) is N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine is CC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2cc4ccccc4cc2-3)c2ccc3ccccc3c2-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine?
The InChIKey is ZIZCUTPSNWOCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41NO/c1-50(2,3)35-22-24-36(25-23-35)52(37-26-27-39-43-29-33-14-6-7-15-34(33)30-44(43)51(4,5)45(39)31-37)46-28-21-32-13-8-9-16-38(32)48(46)42-19-12-18-41-40-17-10-11-20-47(40)53-49(41)42/h6-31H,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine?
N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine has a molecular weight of 683.90 g/mol, XLogP of 14.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine is sourced from PubChem (CID 168802469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).