N-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine

C56H36N4O — CID 169294633

IUPACN-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2cc(-c3ccc4oc5c6ccccc6c(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5c4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C56H36N4O/c1-4-16-37(17-5-1)49-36-50(58-56(57-49)38-18-6-2-7-19-38)39-28-33-54-47(34-39)48-35-53(45-24-10-11-25-46(45)55(48)61-54)59(40-20-8-3-9-21-40)41-29-31-42(32-30-41)60-51-26-14-12-22-43(51)44-23-13-15-27-52(44)60/h1-36H
InChIKeyWIPAJAWBPRWEOL-UHFFFAOYSA-N
MW780.93 g/mol
LogP15.10
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine

N-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 169294633) has the molecular formula C56H36N4O and a molecular weight of 780.93 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine
PubChem CID169294633
Molecular FormulaC56H36N4O
Molecular Weight780.93 g/mol
Exact Mass780.29
IUPAC NameN-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2cc(-c3ccc4oc5c6ccccc6c(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5c4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C56H36N4O/c1-4-16-37(17-5-1)49-36-50(58-56(57-49)38-18-6-2-7-19-38)39-28-33-54-47(34-39)48-35-53(45-24-10-11-25-46(45)55(48)61-54)59(40-20-8-3-9-21-40)41-29-31-42(32-30-41)60-51-26-14-12-22-43(51)44-23-13-15-27-52(44)60/h1-36H
InChIKeyWIPAJAWBPRWEOL-UHFFFAOYSA-N
XLogP15.10
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.93
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-N-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167143696
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167278242
9-[18-(2,6-diphenylpyrimidin-4-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]carbazole
CID 59147373
N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline
CID 174280518
8-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167143670
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 70659228
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 161033096
N-(4-carbazol-9-ylphenyl)-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 167143326
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,19-triphenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-4-amine
CID 155335502
9-(4-dibenzofuran-2-ylphenyl)-3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159961245
5-[4-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 90085731
9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole
CID 164834774

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine (CID 169294633) is N-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine is c1ccc(-c2cc(-c3ccc4oc5c6ccccc6c(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5c4c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is WIPAJAWBPRWEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4O/c1-4-16-37(17-5-1)49-36-50(58-56(57-49)38-18-6-2-7-19-38)39-28-33-54-47(34-39)48-35-53(45-24-10-11-25-46(45)55(48)61-54)59(40-20-8-3-9-21-40)41-29-31-42(32-30-41)60-51-26-14-12-22-43(51)44-23-13-15-27-52(44)60/h1-36H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine?
N-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 780.93 g/mol, XLogP of 15.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-8-(2,6-diphenylpyrimidin-4-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 169294633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).