N-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine

C84H54N6O2 — CID 163889397

IUPACN-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine
SMILESCOc1ccc(N(c2ccccc2)c2ccc3c4c(cccc24)-c2nc4ncc(-c5ccc(-c6cnc7nc8c(c(-c9ccccc9)c7c6)-c6ccc(N(c7ccccc7)c7ccc(OC)cc7)c7cccc-8c67)c6ccccc56)cc4c(-c4ccccc4)c2-3)cc1
InChIInChI=1S/C84H54N6O2/c1-91-59-37-33-57(34-38-59)89(55-23-11-5-12-24-55)73-45-43-67-77-65(73)29-17-31-69(77)81-79(67)75(51-19-7-3-8-20-51)71-47-53(49-85-83(71)87-81)61-41-42-62(64-28-16-15-27-63(61)64)54-48-72-76(52-21-9-4-10-22-52)80-68-44-46-74(66-30-18-32-70(78(66)68)82(80)88-84(72)86-50-54)90(56-25-13-6-14-26-56)58-35-39-60(92-2)40-36-58/h3-50H,1-2H3
InChIKeyQAGPSLPHJISAGN-UHFFFAOYSA-N
MW1179.40 g/mol
LogP21.95
Rot. Bonds12

About N-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine

N-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine (PubChem CID 163889397) has the molecular formula C84H54N6O2 and a molecular weight of 1179.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine
PubChem CID163889397
Molecular FormulaC84H54N6O2
Molecular Weight1179.40 g/mol
Exact Mass1178.43
IUPAC NameN-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine
SMILESCOc1ccc(N(c2ccccc2)c2ccc3c4c(cccc24)-c2nc4ncc(-c5ccc(-c6cnc7nc8c(c(-c9ccccc9)c7c6)-c6ccc(N(c7ccccc7)c7ccc(OC)cc7)c7cccc-8c67)c6ccccc56)cc4c(-c4ccccc4)c2-3)cc1
InChIInChI=1S/C84H54N6O2/c1-91-59-37-33-57(34-38-59)89(55-23-11-5-12-24-55)73-45-43-67-77-65(73)29-17-31-69(77)81-79(67)75(51-19-7-3-8-20-51)71-47-53(49-85-83(71)87-81)61-41-42-62(64-28-16-15-27-63(61)64)54-48-72-76(52-21-9-4-10-22-52)80-68-44-46-74(66-30-18-32-70(78(66)68)82(80)88-84(72)86-50-54)90(56-25-13-6-14-26-56)58-35-39-60(92-2)40-36-58/h3-50H,1-2H3
InChIKeyQAGPSLPHJISAGN-UHFFFAOYSA-N
XLogP21.95
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.40
LogP ≤ 521.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine with MolForge

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Related Compounds

N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine
CID 59133381
N-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-N-phenylpyrimidin-5-amine
CID 118312558
20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine
CID 163784613
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[4-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-2-amine;1-(6-methoxynaphthalen-2-yl)-4-[4-(6-methoxynaphthalen-2-yl)naphthalen-1-yl]naphthalene
CID 157482098
N-(4-methoxyphenyl)-1-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine
CID 164774334
8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890363
3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene
CID 163603931
7,12-bis(4-methoxyphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene
CID 71105856
1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 101381671
N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine
CID 67365900
3-N,3-N,9-N,9-N-tetrakis(4-methoxyphenyl)perylene-3,9-diamine
CID 20710079
ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
CID 91567047

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine (CID 163889397) is N-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine is COc1ccc(N(c2ccccc2)c2ccc3c4c(cccc24)-c2nc4ncc(-c5ccc(-c6cnc7nc8c(c(-c9ccccc9)c7c6)-c6ccc(N(c7ccccc7)c7ccc(OC)cc7)c7cccc-8c67)c6ccccc56)cc4c(-c4ccccc4)c2-3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine?
The InChIKey is QAGPSLPHJISAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N6O2/c1-91-59-37-33-57(34-38-59)89(55-23-11-5-12-24-55)73-45-43-67-77-65(73)29-17-31-69(77)81-79(67)75(51-19-7-3-8-20-51)71-47-53(49-85-83(71)87-81)61-41-42-62(64-28-16-15-27-63(61)64)54-48-72-76(52-21-9-4-10-22-52)80-68-44-46-74(66-30-18-32-70(78(66)68)82(80)88-84(72)86-50-54)90(56-25-13-6-14-26-56)58-35-39-60(92-2)40-36-58/h3-50H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine?
N-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine has a molecular weight of 1179.40 g/mol, XLogP of 21.95, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-10-[4-[3-(N-(4-methoxyphenyl)anilino)-12-phenylacenaphthyleno[1,2-b][1,8]naphthyridin-10-yl]naphthalen-1-yl]-N,12-diphenylacenaphthyleno[1,2-b][1,8]naphthyridin-3-amine is sourced from PubChem (CID 163889397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).