N,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline

C61H40N2O2 — CID 166005560

IUPACN,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4ccccc4-c4c3ccc3c4Oc4ccccc4O3)cc2)cc1
InChIInChI=1S/C61H40N2O2/c1-4-17-44(18-5-1)62(45-19-6-2-7-20-45)47-37-35-43(36-38-47)61(52-27-12-10-24-51(52)58-53(61)39-40-57-60(58)65-56-30-15-14-29-55(56)64-57)42-33-31-41(32-34-42)48-25-16-26-50-49-23-11-13-28-54(49)63(59(48)50)46-21-8-3-9-22-46/h1-40H
InChIKeyNKTKSAXBXKAWMP-UHFFFAOYSA-N
MW833.00 g/mol
LogP16.18
Rot. Bonds7

About N,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline

N,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline (PubChem CID 166005560) has the molecular formula C61H40N2O2 and a molecular weight of 833.00 g/mol. Its IUPAC name is N,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline
PubChem CID166005560
Molecular FormulaC61H40N2O2
Molecular Weight833.00 g/mol
Exact Mass832.31
IUPAC NameN,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4ccccc4-c4c3ccc3c4Oc4ccccc4O3)cc2)cc1
InChIInChI=1S/C61H40N2O2/c1-4-17-44(18-5-1)62(45-19-6-2-7-20-45)47-37-35-43(36-38-47)61(52-27-12-10-24-51(52)58-53(61)39-40-57-60(58)65-56-30-15-14-29-55(56)64-57)42-33-31-41(32-34-42)48-25-16-26-50-49-23-11-13-28-54(49)63(59(48)50)46-21-8-3-9-22-46/h1-40H
InChIKeyNKTKSAXBXKAWMP-UHFFFAOYSA-N
XLogP16.18
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.00
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine
CID 138581380
2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304374
4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline
CID 167389035
N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118289063
N-[4-[8-(4-naphthalen-1-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166005616
9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138574944
N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159606680
CID 134551739
CID 134551739
N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine
CID 171418926
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline
CID 90154111
N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine
CID 134452955
N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629784

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline (CID 166005560) is N,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4ccccc4-c4c3ccc3c4Oc4ccccc4O3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline?
The InChIKey is NKTKSAXBXKAWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2O2/c1-4-17-44(18-5-1)62(45-19-6-2-7-20-45)47-37-35-43(36-38-47)61(52-27-12-10-24-51(52)58-53(61)39-40-57-60(58)65-56-30-15-14-29-55(56)64-57)42-33-31-41(32-34-42)48-25-16-26-50-49-23-11-13-28-54(49)63(59(48)50)46-21-8-3-9-22-46/h1-40H.
What are the key properties of N,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline?
N,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline has a molecular weight of 833.00 g/mol, XLogP of 16.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline is sourced from PubChem (CID 166005560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).