1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine

C60H42N4O — CID 162473597

IUPAC1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine
SMILESc1ccc(N(c2ccc3c(c2)oc2c(N(c4ccccc4)c4ccccc4)ccc(N(c4ccccc4)c4ccccc4)c23)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C60H42N4O/c1-7-21-43(22-8-1)61(49-36-38-55-53(41-49)51-33-19-20-34-54(51)64(55)48-31-17-6-18-32-48)50-35-37-52-58(42-50)65-60-57(63(46-27-13-4-14-28-46)47-29-15-5-16-30-47)40-39-56(59(52)60)62(44-23-9-2-10-24-44)45-25-11-3-12-26-45/h1-42H
InChIKeyVEQFYULPTWFOMM-UHFFFAOYSA-N
MW835.02 g/mol
LogP17.09
Rot. Bonds10

About 1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine

1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine (PubChem CID 162473597) has the molecular formula C60H42N4O and a molecular weight of 835.02 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine
PubChem CID162473597
Molecular FormulaC60H42N4O
Molecular Weight835.02 g/mol
Exact Mass834.34
IUPAC Name1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine
SMILESc1ccc(N(c2ccc3c(c2)oc2c(N(c4ccccc4)c4ccccc4)ccc(N(c4ccccc4)c4ccccc4)c23)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C60H42N4O/c1-7-21-43(22-8-1)61(49-36-38-55-53(41-49)51-33-19-20-34-54(51)64(55)48-31-17-6-18-32-48)50-35-37-52-58(42-50)65-60-57(63(46-27-13-4-14-28-46)47-29-15-5-16-30-47)40-39-56(59(52)60)62(44-23-9-2-10-24-44)45-25-11-3-12-26-45/h1-42H
InChIKeyVEQFYULPTWFOMM-UHFFFAOYSA-N
XLogP17.09
TPSA27.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.02
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-N,N-diphenylaniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine
CID 159949302
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
CID 129085164
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 162697693
N-dibenzofuran-1-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-2-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-3-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-4-yl-N-dibenzoselenophen-2-yl-9-phenylcarbazol-3-amine
CID 158764953
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 166845763
1-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-3-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165100734
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-1-amine
CID 176608271

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine?
The IUPAC name of 1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine (CID 162473597) is 1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine?
The canonical SMILES for 1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine is c1ccc(N(c2ccc3c(c2)oc2c(N(c4ccccc4)c4ccccc4)ccc(N(c4ccccc4)c4ccccc4)c23)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine?
The InChIKey is VEQFYULPTWFOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4O/c1-7-21-43(22-8-1)61(49-36-38-55-53(41-49)51-33-19-20-34-54(51)64(55)48-31-17-6-18-32-48)50-35-37-52-58(42-50)65-60-57(63(46-27-13-4-14-28-46)47-29-15-5-16-30-47)40-39-56(59(52)60)62(44-23-9-2-10-24-44)45-25-11-3-12-26-45/h1-42H.
What are the key properties of 1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine?
1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine has a molecular weight of 835.02 g/mol, XLogP of 17.09, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine is sourced from PubChem (CID 162473597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).