N-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine

C51H33N3O2 — CID 167389053

IUPACN-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine
SMILESc1ccc(C2(c3ccc(-c4ccc(N(c5cccnc5)c5ccc6cccnc6c5)cc4)cc3)c3ccccc3-c3c2ccc2c3Oc3ccccc3O2)cc1
InChIInChI=1S/C51H33N3O2/c1-2-11-37(12-3-1)51(43-15-5-4-14-42(43)49-44(51)28-29-48-50(49)56-47-17-7-6-16-46(47)55-48)38-23-18-34(19-24-38)35-20-25-39(26-21-35)54(41-13-9-30-52-33-41)40-27-22-36-10-8-31-53-45(36)32-40/h1-33H
InChIKeyFWFUFTJMPQEJOB-UHFFFAOYSA-N
MW719.84 g/mol
LogP13.03
Rot. Bonds6

About N-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine

N-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine (PubChem CID 167389053) has the molecular formula C51H33N3O2 and a molecular weight of 719.84 g/mol. Its IUPAC name is N-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine.

Molecular Properties

Compound NameN-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine
PubChem CID167389053
Molecular FormulaC51H33N3O2
Molecular Weight719.84 g/mol
Exact Mass719.26
IUPAC NameN-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine
SMILESc1ccc(C2(c3ccc(-c4ccc(N(c5cccnc5)c5ccc6cccnc6c5)cc4)cc3)c3ccccc3-c3c2ccc2c3Oc3ccccc3O2)cc1
InChIInChI=1S/C51H33N3O2/c1-2-11-37(12-3-1)51(43-15-5-4-14-42(43)49-44(51)28-29-48-50(49)56-47-17-7-6-16-46(47)55-48)38-23-18-34(19-24-38)35-20-25-39(26-21-35)54(41-13-9-30-52-33-41)40-27-22-36-10-8-31-53-45(36)32-40/h1-33H
InChIKeyFWFUFTJMPQEJOB-UHFFFAOYSA-N
XLogP13.03
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.84
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[8-[4-(1,10-phenanthrolin-5-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]-N,N-diphenylaniline
CID 167389035
N-[4-[8-(4-naphthalen-1-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166005616
N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine
CID 167389015
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582911
3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline
CID 166005546
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine
CID 129309035
N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine
CID 122493285
N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138582115
N-[4-[8-(4-cyclohexylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156512597
N,N-diphenyl-4-[8-[4-(9-phenylcarbazol-1-yl)phenyl]indeno[1,2-a]oxanthren-8-yl]aniline
CID 166005560
N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine;N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-9,9-diphenyl-N-(4-pyridin-3-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-(4-pyridin-3-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-amine
CID 160667855
N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138581708

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine?
The IUPAC name of N-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine (CID 167389053) is N-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine.
What is the SMILES notation for N-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine?
The canonical SMILES for N-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine is c1ccc(C2(c3ccc(-c4ccc(N(c5cccnc5)c5ccc6cccnc6c5)cc4)cc3)c3ccccc3-c3c2ccc2c3Oc3ccccc3O2)cc1.
What is the InChIKey of N-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine?
The InChIKey is FWFUFTJMPQEJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O2/c1-2-11-37(12-3-1)51(43-15-5-4-14-42(43)49-44(51)28-29-48-50(49)56-47-17-7-6-16-46(47)55-48)38-23-18-34(19-24-38)35-20-25-39(26-21-35)54(41-13-9-30-52-33-41)40-27-22-36-10-8-31-53-45(36)32-40/h1-33H.
What are the key properties of N-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine?
N-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine has a molecular weight of 719.84 g/mol, XLogP of 13.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(8-phenylindeno[1,2-a]oxanthren-8-yl)phenyl]phenyl]-N-pyridin-3-ylquinolin-7-amine is sourced from PubChem (CID 167389053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).