N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine

C62H39N — CID 67365900

IUPACN-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c3c2-c2cccc4c(N(c5ccccc5)c5ccc6c7c(cccc57)-c5c(-c7ccccc7)ccc(-c7ccccc7)c5-6)ccc-3c24)cc1
InChIInChI=1S/C62H39N/c1-6-18-40(19-7-1)45-32-34-47(42-22-10-3-11-23-42)61-53-36-38-55(49-28-16-30-51(57(49)53)59(45)61)63(44-26-14-5-15-27-44)56-39-37-54-58-50(56)29-17-31-52(58)60-46(41-20-8-2-9-21-41)33-35-48(62(54)60)43-24-12-4-13-25-43/h1-39H
InChIKeyQJEJFTHOHAXANT-UHFFFAOYSA-N
MW798.00 g/mol
LogP17.43
Rot. Bonds7

About N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine

N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine (PubChem CID 67365900) has the molecular formula C62H39N and a molecular weight of 798.00 g/mol. Its IUPAC name is N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine.

Molecular Properties

Compound NameN-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine
PubChem CID67365900
Molecular FormulaC62H39N
Molecular Weight798.00 g/mol
Exact Mass797.31
IUPAC NameN-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c3c2-c2cccc4c(N(c5ccccc5)c5ccc6c7c(cccc57)-c5c(-c7ccccc7)ccc(-c7ccccc7)c5-6)ccc-3c24)cc1
InChIInChI=1S/C62H39N/c1-6-18-40(19-7-1)45-32-34-47(42-22-10-3-11-23-42)61-53-36-38-55(49-28-16-30-51(57(49)53)59(45)61)63(44-26-14-5-15-27-44)56-39-37-54-58-50(56)29-17-31-52(58)60-46(41-20-8-2-9-21-41)33-35-48(62(54)60)43-24-12-4-13-25-43/h1-39H
InChIKeyQJEJFTHOHAXANT-UHFFFAOYSA-N
XLogP17.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.00
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-N,6-N-di(fluoranthen-3-yl)-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine
CID 90194191
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CID 146509754
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CID 139352798
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CID 174254069
N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine
CID 58903856
4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589541
N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
CID 139498840
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695

Frequently Asked Questions

What is the IUPAC name of N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine?
The IUPAC name of N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine (CID 67365900) is N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine.
What is the SMILES notation for N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine?
The canonical SMILES for N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine is c1ccc(-c2ccc(-c3ccccc3)c3c2-c2cccc4c(N(c5ccccc5)c5ccc6c7c(cccc57)-c5c(-c7ccccc7)ccc(-c7ccccc7)c5-6)ccc-3c24)cc1.
What is the InChIKey of N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine?
The InChIKey is QJEJFTHOHAXANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N/c1-6-18-40(19-7-1)45-32-34-47(42-22-10-3-11-23-42)61-53-36-38-55(49-28-16-30-51(57(49)53)59(45)61)63(44-26-14-5-15-27-44)56-39-37-54-58-50(56)29-17-31-52(58)60-46(41-20-8-2-9-21-41)33-35-48(62(54)60)43-24-12-4-13-25-43/h1-39H.
What are the key properties of N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine?
N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine has a molecular weight of 798.00 g/mol, XLogP of 17.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,10-diphenylfluoranthen-3-yl)-N,7,10-triphenylfluoranthen-3-amine is sourced from PubChem (CID 67365900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).