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

C50H40N2O — CID 155421901

IUPAC2-N,7-N,7-N-triphenyl-2-N-[4-[4-(1-tricyclo[3.3.0.03,7]octanyl)phenyl]phenyl]dibenzofuran-2,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccc(N(c4ccccc4)c4ccc(-c5ccc(C67CC8CC6CC8C7)cc5)cc4)cc23)cc1
InChIInChI=1S/C50H40N2O/c1-4-10-40(11-5-1)51(41-12-6-2-7-13-41)45-24-26-46-47-30-44(25-27-48(47)53-49(46)31-45)52(42-14-8-3-9-15-42)43-22-18-35(19-23-43)34-16-20-38(21-17-34)50-32-36-28-39(50)29-37(36)33-50/h1-27,30-31,36-37,39H,28-29,32-33H2
InChIKeySBIWIODQAQMQPH-UHFFFAOYSA-N
MW684.88 g/mol
LogP13.88
Rot. Bonds8

About 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

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 (PubChem CID 155421901) has the molecular formula C50H40N2O and a molecular weight of 684.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-N,7-N,7-N-triphenyl-2-N-[4-[4-(1-tricyclo[3.3.0.03,7]octanyl)phenyl]phenyl]dibenzofuran-2,7-diamine
PubChem CID155421901
Molecular FormulaC50H40N2O
Molecular Weight684.88 g/mol
Exact Mass684.31
IUPAC Name2-N,7-N,7-N-triphenyl-2-N-[4-[4-(1-tricyclo[3.3.0.03,7]octanyl)phenyl]phenyl]dibenzofuran-2,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccc(N(c4ccccc4)c4ccc(-c5ccc(C67CC8CC6CC8C7)cc5)cc4)cc23)cc1
InChIInChI=1S/C50H40N2O/c1-4-10-40(11-5-1)51(41-12-6-2-7-13-41)45-24-26-46-47-30-44(25-27-48(47)53-49(46)31-45)52(42-14-8-3-9-15-42)43-22-18-35(19-23-43)34-16-20-38(21-17-34)50-32-36-28-39(50)29-37(36)33-50/h1-27,30-31,36-37,39H,28-29,32-33H2
InChIKeySBIWIODQAQMQPH-UHFFFAOYSA-N
XLogP13.88
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.88
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-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
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
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
N,N,17-triphenyl-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 171049996
N,16-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine
CID 171050331
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
1-N-[4-(1-adamantyl)phenyl]-3-N-dibenzofuran-3-yl-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155421754
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccc(N(c4ccccc4)c4ccc(-c5ccc(C67CC8CC6CC8C7)cc5)cc4)cc23)cc1.
What is the InChIKey of 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?
The InChIKey is SBIWIODQAQMQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2O/c1-4-10-40(11-5-1)51(41-12-6-2-7-13-41)45-24-26-46-47-30-44(25-27-48(47)53-49(46)31-45)52(42-14-8-3-9-15-42)43-22-18-35(19-23-43)34-16-20-38(21-17-34)50-32-36-28-39(50)29-37(36)33-50/h1-27,30-31,36-37,39H,28-29,32-33H2.
What are the key properties of 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?
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 has a molecular weight of 684.88 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,7-N,7-N-triphenyl-2-N-[4-[4-(1-tricyclo[3.3.0.03,7]octanyl)phenyl]phenyl]dibenzofuran-2,7-diamine is sourced from PubChem (CID 155421901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).