N-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline

C116H76N6O2 — CID 159625965

IUPACN-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4c6ccccc6n(-c6ccccc6)c54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.c1ccc(-n2c3ccccc3c3oc4c(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cccc4c32)cc1
InChIInChI=1S/C60H39N3O.C56H37N3O/c1-2-16-43(17-3-1)63-57-27-11-8-21-53(57)60-58(63)54-24-13-23-50(59(54)64-60)42-30-34-45(35-31-42)61(44-32-28-41(29-33-44)49-22-12-15-40-14-4-5-18-48(40)49)46-36-38-47(39-37-46)62-55-25-9-6-19-51(55)52-20-7-10-26-56(52)62;1-3-14-38(15-4-1)39-26-30-42(31-27-39)57(44-34-36-45(37-35-44)58-51-23-10-7-18-47(51)48-19-8-11-24-52(48)58)43-32-28-40(29-33-43)46-21-13-22-50-54-56(60-55(46)50)49-20-9-12-25-53(49)59(54)41-16-5-2-6-17-41/h1-39H;1-37H
InChIKeyMOMLTBSDWBDXJT-UHFFFAOYSA-N
MW1585.92 g/mol
LogP32.01
Rot. Bonds14

About N-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline

N-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline (PubChem CID 159625965) has the molecular formula C116H76N6O2 and a molecular weight of 1585.92 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline
PubChem CID159625965
Molecular FormulaC116H76N6O2
Molecular Weight1585.92 g/mol
Exact Mass1584.60
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4c6ccccc6n(-c6ccccc6)c54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.c1ccc(-n2c3ccccc3c3oc4c(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cccc4c32)cc1
InChIInChI=1S/C60H39N3O.C56H37N3O/c1-2-16-43(17-3-1)63-57-27-11-8-21-53(57)60-58(63)54-24-13-23-50(59(54)64-60)42-30-34-45(35-31-42)61(44-32-28-41(29-33-44)49-22-12-15-40-14-4-5-18-48(40)49)46-36-38-47(39-37-46)62-55-25-9-6-19-51(55)52-20-7-10-26-56(52)62;1-3-14-38(15-4-1)39-26-30-42(31-27-39)57(44-34-36-45(37-35-44)58-51-23-10-7-18-47(51)48-19-8-11-24-52(48)58)43-32-28-40(29-33-43)46-21-13-22-50-54-56(60-55(46)50)49-20-9-12-25-53(49)59(54)41-16-5-2-6-17-41/h1-39H;1-37H
InChIKeyMOMLTBSDWBDXJT-UHFFFAOYSA-N
XLogP32.01
TPSA52.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms124
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001585.92
LogP ≤ 532.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline (CID 159625965) is N-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4c6ccccc6n(-c6ccccc6)c54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.c1ccc(-n2c3ccccc3c3oc4c(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cccc4c32)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline?
The InChIKey is MOMLTBSDWBDXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3O.C56H37N3O/c1-2-16-43(17-3-1)63-57-27-11-8-21-53(57)60-58(63)54-24-13-23-50(59(54)64-60)42-30-34-45(35-31-42)61(44-32-28-41(29-33-44)49-22-12-15-40-14-4-5-18-48(40)49)46-36-38-47(39-37-46)62-55-25-9-6-19-51(55)52-20-7-10-26-56(52)62;1-3-14-38(15-4-1)39-26-30-42(31-27-39)57(44-34-36-45(37-35-44)58-51-23-10-7-18-47(51)48-19-8-11-24-52(48)58)43-32-28-40(29-33-43)46-21-13-22-50-54-56(60-55(46)50)49-20-9-12-25-53(49)59(54)41-16-5-2-6-17-41/h1-39H;1-37H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline?
N-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline has a molecular weight of 1585.92 g/mol, XLogP of 32.01, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-4-naphthalen-1-yl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]aniline is sourced from PubChem (CID 159625965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).