N-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine

C69H43N5 — CID 134386989

IUPACN-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c5c(cccc35)-c3cc(-c5cc(N(c6ccncc6)c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)ccn5)ccc3-4)cc2)c2ccnc3ccccc23)cc1
InChIInChI=1S/C69H43N5/c1-2-10-47(11-3-1)74(67-37-41-71-65-19-7-6-14-63(65)67)49-27-22-45(23-28-49)53-31-33-62-56-29-24-46(42-64(56)60-18-9-16-58(53)69(60)62)66-43-51(36-40-72-66)73(50-34-38-70-39-35-50)48-25-20-44(21-26-48)52-30-32-61-55-13-5-4-12-54(55)59-17-8-15-57(52)68(59)61/h1-43H
InChIKeyVHGBPHKRLKRMCI-UHFFFAOYSA-N
MW942.14 g/mol
LogP18.57
Rot. Bonds9

About N-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine

N-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine (PubChem CID 134386989) has the molecular formula C69H43N5 and a molecular weight of 942.14 g/mol. Its IUPAC name is N-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine.

Molecular Properties

Compound NameN-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine
PubChem CID134386989
Molecular FormulaC69H43N5
Molecular Weight942.14 g/mol
Exact Mass941.35
IUPAC NameN-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c5c(cccc35)-c3cc(-c5cc(N(c6ccncc6)c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)ccn5)ccc3-4)cc2)c2ccnc3ccccc23)cc1
InChIInChI=1S/C69H43N5/c1-2-10-47(11-3-1)74(67-37-41-71-65-19-7-6-14-63(65)67)49-27-22-45(23-28-49)53-31-33-62-56-29-24-46(42-64(56)60-18-9-16-58(53)69(60)62)66-43-51(36-40-72-66)73(50-34-38-70-39-35-50)48-25-20-44(21-26-48)52-30-32-61-55-13-5-4-12-54(55)59-17-8-15-57(52)68(59)61/h1-43H
InChIKeyVHGBPHKRLKRMCI-UHFFFAOYSA-N
XLogP18.57
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.14
LogP ≤ 518.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoranthen-3-ylphenyl)-N-phenyl-1-[3-[3-(N-quinolin-4-ylanilino)phenyl]fluoranthen-8-yl]isoquinolin-4-amine
CID 134387009
ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 144605037
N-(4-fluoranthen-3-ylphenyl)-N-phenylisoquinolin-5-amine
CID 118410702
N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-N-naphthalen-1-yl-6-[3-[3-[naphthalen-1-yl(pyridin-4-yl)amino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]pyridin-3-amine
CID 134387092
2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline
CID 140898216
N,N-diphenyl-5-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaen-19-amine
CID 156512724
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130265097
N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine
CID 134387037
2-(4-fluoranthen-3-ylphenyl)-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130264165
ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
CID 91567047
N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]quinoxalin-2-yl]phenyl]naphthalen-1-amine;N,N-diphenyl-5-[4-[3-[4-[5-(N-phenylanilino)naphthalen-1-yl]phenyl]quinoxalin-2-yl]phenyl]naphthalen-1-amine;N,N-diphenyl-4-[4-[4-[3-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 159820457
1-N,4-N-bis[4-(N-[4-[N-(9H-fluoren-2-yl)anilino]phenyl]anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-bis[4-(N-[4-(N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-bis[4-(N-[4-(N-phenanthren-9-ylanilino)phenyl]anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis[4-(N-[4-(N-quinolin-4-ylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 157159244

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine?
The IUPAC name of N-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine (CID 134386989) is N-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine.
What is the SMILES notation for N-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine?
The canonical SMILES for N-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine is c1ccc(N(c2ccc(-c3ccc4c5c(cccc35)-c3cc(-c5cc(N(c6ccncc6)c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)ccn5)ccc3-4)cc2)c2ccnc3ccccc23)cc1.
What is the InChIKey of N-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine?
The InChIKey is VHGBPHKRLKRMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N5/c1-2-10-47(11-3-1)74(67-37-41-71-65-19-7-6-14-63(65)67)49-27-22-45(23-28-49)53-31-33-62-56-29-24-46(42-64(56)60-18-9-16-58(53)69(60)62)66-43-51(36-40-72-66)73(50-34-38-70-39-35-50)48-25-20-44(21-26-48)52-30-32-61-55-13-5-4-12-54(55)59-17-8-15-57(52)68(59)61/h1-43H.
What are the key properties of N-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine?
N-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine has a molecular weight of 942.14 g/mol, XLogP of 18.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-[4-(4-fluoranthen-3-yl-N-pyridin-4-ylanilino)-2-pyridinyl]fluoranthen-3-yl]phenyl]-N-phenylquinolin-4-amine is sourced from PubChem (CID 134386989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).