N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline

C120H78N4O2S — CID 158408107

IUPACN-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c5c4oc4ccccc45)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C60H38N2OS.C60H40N2O/c1-3-13-39(14-4-1)41-23-29-44(30-24-41)61(47-35-36-57-52(37-47)49-18-9-12-22-56(49)64-57)45-33-27-43(28-34-45)51-38-53-48-17-7-10-20-54(48)62(46-31-25-42(26-32-46)40-15-5-2-6-16-40)59(53)58-50-19-8-11-21-55(50)63-60(51)58;1-4-15-41(16-5-1)44-27-33-48(34-28-44)61(49-35-29-45(30-36-49)42-17-6-2-7-18-42)50-37-31-46(32-38-50)54-40-55-52-23-10-12-25-56(52)62(51-22-14-21-47(39-51)43-19-8-3-9-20-43)59(55)58-53-24-11-13-26-57(53)63-60(54)58/h1-38H;1-40H
InChIKeyGYYKIVVTTXKZEV-UHFFFAOYSA-N
MW1640.04 g/mol
LogP34.34
Rot. Bonds15

About N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline

N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline (PubChem CID 158408107) has the molecular formula C120H78N4O2S and a molecular weight of 1640.04 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline
PubChem CID158408107
Molecular FormulaC120H78N4O2S
Molecular Weight1640.04 g/mol
Exact Mass1638.58
IUPAC NameN-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c5c4oc4ccccc45)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C60H38N2OS.C60H40N2O/c1-3-13-39(14-4-1)41-23-29-44(30-24-41)61(47-35-36-57-52(37-47)49-18-9-12-22-56(49)64-57)45-33-27-43(28-34-45)51-38-53-48-17-7-10-20-54(48)62(46-31-25-42(26-32-46)40-15-5-2-6-16-40)59(53)58-50-19-8-11-21-55(50)63-60(51)58;1-4-15-41(16-5-1)44-27-33-48(34-28-44)61(49-35-29-45(30-36-49)42-17-6-2-7-18-42)50-37-31-46(32-38-50)54-40-55-52-23-10-12-25-56(52)62(51-22-14-21-47(39-51)43-19-8-3-9-20-43)59(55)58-53-24-11-13-26-57(53)63-60(54)58/h1-38H;1-40H
InChIKeyGYYKIVVTTXKZEV-UHFFFAOYSA-N
XLogP34.34
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001640.04
LogP ≤ 534.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline with MolForge

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 157317225
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 118405520
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608773
4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 135225140
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(2-fluorocarbazol-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 169073634
4-(6-dibenzothiophen-2-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-N,N-diphenylaniline
CID 134252380
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine
CID 122578451
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline
CID 168804920
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 176608837
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 164790607
N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122578447

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline?
The IUPAC name of N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline (CID 158408107) is N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c5c4oc4ccccc45)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline?
The InChIKey is GYYKIVVTTXKZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2OS.C60H40N2O/c1-3-13-39(14-4-1)41-23-29-44(30-24-41)61(47-35-36-57-52(37-47)49-18-9-12-22-56(49)64-57)45-33-27-43(28-34-45)51-38-53-48-17-7-10-20-54(48)62(46-31-25-42(26-32-46)40-15-5-2-6-16-40)59(53)58-50-19-8-11-21-55(50)63-60(51)58;1-4-15-41(16-5-1)44-27-33-48(34-28-44)61(49-35-29-45(30-36-49)42-17-6-2-7-18-42)50-37-31-46(32-38-50)54-40-55-52-23-10-12-25-56(52)62(51-22-14-21-47(39-51)43-19-8-3-9-20-43)59(55)58-53-24-11-13-26-57(53)63-60(54)58/h1-38H;1-40H.
What are the key properties of N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline?
N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline has a molecular weight of 1640.04 g/mol, XLogP of 34.34, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]aniline is sourced from PubChem (CID 158408107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).