5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine

C60H49N — CID 118178106

IUPAC5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c(-c6c7c(c(-c8ccccc8)c8c6CCCC8)CCCC7)cccc45)cc3)cc2)cc1
InChIInChI=1S/C60H49N/c1-4-16-42(17-5-1)44-30-32-45(33-31-44)47-36-40-50(41-37-47)61(49-38-34-46(35-39-49)43-18-6-2-7-19-43)58-29-15-26-51-52(58)27-14-28-53(51)60-56-24-12-10-22-54(56)59(48-20-8-3-9-21-48)55-23-11-13-25-57(55)60/h1-9,14-21,26-41H,10-13,22-25H2
InChIKeyMXEZOETVTMQHAD-UHFFFAOYSA-N
MW784.06 g/mol
LogP16.40
Rot. Bonds8

About 5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine

5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 118178106) has the molecular formula C60H49N and a molecular weight of 784.06 g/mol. Its IUPAC name is 5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
PubChem CID118178106
Molecular FormulaC60H49N
Molecular Weight784.06 g/mol
Exact Mass783.39
IUPAC Name5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c(-c6c7c(c(-c8ccccc8)c8c6CCCC8)CCCC7)cccc45)cc3)cc2)cc1
InChIInChI=1S/C60H49N/c1-4-16-42(17-5-1)44-30-32-45(33-31-44)47-36-40-50(41-37-47)61(49-38-34-46(35-39-49)43-18-6-2-7-19-43)58-29-15-26-51-52(58)27-14-28-53(51)60-56-24-12-10-22-54(56)59(48-20-8-3-9-21-48)55-23-11-13-25-57(55)60/h1-9,14-21,26-41H,10-13,22-25H2
InChIKeyMXEZOETVTMQHAD-UHFFFAOYSA-N
XLogP16.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.06
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine
CID 118178093
4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline
CID 118178056
N,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine
CID 118178096
2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155304911
1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine
CID 118180101
N,N-bis(4-phenylphenyl)-10-pyren-2-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine
CID 118178040
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 169062413
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488
N,N-bis(4-phenylphenyl)-2-[2-[2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 163940661
N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254069
N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 59194350

Frequently Asked Questions

What is the IUPAC name of 5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of 5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (CID 118178106) is 5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for 5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for 5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c(-c6c7c(c(-c8ccccc8)c8c6CCCC8)CCCC7)cccc45)cc3)cc2)cc1.
What is the InChIKey of 5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is MXEZOETVTMQHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H49N/c1-4-16-42(17-5-1)44-30-32-45(33-31-44)47-36-40-50(41-37-47)61(49-38-34-46(35-39-49)43-18-6-2-7-19-43)58-29-15-26-51-52(58)27-14-28-53(51)60-56-24-12-10-22-54(56)59(48-20-8-3-9-21-48)55-23-11-13-25-57(55)60/h1-9,14-21,26-41H,10-13,22-25H2.
What are the key properties of 5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 784.06 g/mol, XLogP of 16.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 118178106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).