N-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine

C46H30N4O — CID 155139580

IUPACN-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ncc(-c4ccc5c(c4)oc4ccccc45)cn3)cc2)cc1
InChIInChI=1S/C46H30N4O/c1-3-11-31(12-4-1)32-19-22-36(23-20-32)49(37-24-26-43-41(28-37)38-15-7-9-17-42(38)50(43)35-13-5-2-6-14-35)46-47-29-34(30-48-46)33-21-25-40-39-16-8-10-18-44(39)51-45(40)27-33/h1-30H
InChIKeyFOSUNFGILFIVJI-UHFFFAOYSA-N
MW654.77 g/mol
LogP12.28
Rot. Bonds6

About N-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine

N-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 155139580) has the molecular formula C46H30N4O and a molecular weight of 654.77 g/mol. Its IUPAC name is N-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID155139580
Molecular FormulaC46H30N4O
Molecular Weight654.77 g/mol
Exact Mass654.24
IUPAC NameN-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ncc(-c4ccc5c(c4)oc4ccccc45)cn3)cc2)cc1
InChIInChI=1S/C46H30N4O/c1-3-11-31(12-4-1)32-19-22-36(23-20-32)49(37-24-26-43-41(28-37)38-15-7-9-17-42(38)50(43)35-13-5-2-6-14-35)46-47-29-34(30-48-46)33-21-25-40-39-16-8-10-18-44(39)51-45(40)27-33/h1-30H
InChIKeyFOSUNFGILFIVJI-UHFFFAOYSA-N
XLogP12.28
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine
CID 159873005
9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine
CID 155139579
N-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)pyrimidin-2-amine;12-phenyl-N-(9-phenylcarbazol-3-yl)-N-(5-phenylpyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazol-9-amine;9-phenyl-N-[9-(3-phenylphenyl)carbazol-3-yl]-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine
CID 162013324
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
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
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-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
CID 129085164
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(5-phenylpyrimidin-2-yl)carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[5-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine
CID 157279634
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
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173

Frequently Asked Questions

What is the IUPAC name of N-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine (CID 155139580) is N-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ncc(-c4ccc5c(c4)oc4ccccc45)cn3)cc2)cc1.
What is the InChIKey of N-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is FOSUNFGILFIVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4O/c1-3-11-31(12-4-1)32-19-22-36(23-20-32)49(37-24-26-43-41(28-37)38-15-7-9-17-42(38)50(43)35-13-5-2-6-14-35)46-47-29-34(30-48-46)33-21-25-40-39-16-8-10-18-44(39)51-45(40)27-33/h1-30H.
What are the key properties of N-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
N-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 654.77 g/mol, XLogP of 12.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 155139580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).