2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine

C51H40N2O — CID 155422006

IUPAC2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(C45CC6CC7CC(C4)C765)cc3)c3ccc4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3)cc2)cc1
InChIInChI=1S/C51H40N2O/c1-4-10-34(11-5-1)35-16-20-42(21-17-35)53(43-22-18-36(19-23-43)50-32-38-28-37-29-39(33-50)51(37,38)50)45-25-27-49-47(31-45)46-30-44(24-26-48(46)54-49)52(40-12-6-2-7-13-40)41-14-8-3-9-15-41/h1-27,30-31,37-39H,28-29,32-33H2
InChIKeyKIAIAQNKNKXRBZ-UHFFFAOYSA-N
MW696.89 g/mol
LogP13.88
Rot. Bonds8

About 2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine

2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine (PubChem CID 155422006) has the molecular formula C51H40N2O and a molecular weight of 696.89 g/mol. Its IUPAC name is 2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine.

Molecular Properties

Compound Name2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine
PubChem CID155422006
Molecular FormulaC51H40N2O
Molecular Weight696.89 g/mol
Exact Mass696.31
IUPAC Name2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(C45CC6CC7CC(C4)C765)cc3)c3ccc4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3)cc2)cc1
InChIInChI=1S/C51H40N2O/c1-4-10-34(11-5-1)35-16-20-42(21-17-35)53(43-22-18-36(19-23-43)50-32-38-28-37-29-39(33-50)51(37,38)50)45-25-27-49-47(31-45)46-30-44(24-26-48(46)54-49)52(40-12-6-2-7-13-40)41-14-8-3-9-15-41/h1-27,30-31,37-39H,28-29,32-33H2
InChIKeyKIAIAQNKNKXRBZ-UHFFFAOYSA-N
XLogP13.88
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.89
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine with MolForge

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Related Compounds

N-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 155421656
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(1-tricyclo[3.3.0.03,7]octanyl)phenyl]phenyl]dibenzofuran-2,7-diamine
CID 155421901
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N,16-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050312
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
8-phenyl-N,N-bis(8-phenyldibenzofuran-2-yl)dibenzofuran-2-amine
CID 59470035
N,4-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine?
The IUPAC name of 2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine (CID 155422006) is 2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine.
What is the SMILES notation for 2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine?
The canonical SMILES for 2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine is c1ccc(-c2ccc(N(c3ccc(C45CC6CC7CC(C4)C765)cc3)c3ccc4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3)cc2)cc1.
What is the InChIKey of 2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine?
The InChIKey is KIAIAQNKNKXRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N2O/c1-4-10-34(11-5-1)35-16-20-42(21-17-35)53(43-22-18-36(19-23-43)50-32-38-28-37-29-39(33-50)51(37,38)50)45-25-27-49-47(31-45)46-30-44(24-26-48(46)54-49)52(40-12-6-2-7-13-40)41-14-8-3-9-15-41/h1-27,30-31,37-39H,28-29,32-33H2.
What are the key properties of 2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine?
2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine has a molecular weight of 696.89 g/mol, XLogP of 13.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diphenyl-8-N-(4-phenylphenyl)-8-N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]dibenzofuran-2,8-diamine is sourced from PubChem (CID 155422006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).