N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine

C68H47N — CID 89083534

IUPACN-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESC1=Cc2c(cccc2-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)c32)CC1
InChIInChI=1S/C68H47N/c1-5-18-46(19-6-1)53-35-40-60-64(43-53)65-44-54(59-31-17-27-48-25-15-16-30-58(48)59)36-41-61(65)68-66(62(49-21-7-2-8-22-49)45-63(67(60)68)50-23-9-3-10-24-50)51-33-37-56(38-34-51)69(55-28-11-4-12-29-55)57-39-32-47-20-13-14-26-52(47)42-57/h1-14,16-24,26-45H,15,25H2
InChIKeyLNNKCKDXIPLOLX-UHFFFAOYSA-N
MW878.13 g/mol
LogP19.06
Rot. Bonds8

About N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 89083534) has the molecular formula C68H47N and a molecular weight of 878.13 g/mol. Its IUPAC name is N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID89083534
Molecular FormulaC68H47N
Molecular Weight878.13 g/mol
Exact Mass877.37
IUPAC NameN-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESC1=Cc2c(cccc2-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)c32)CC1
InChIInChI=1S/C68H47N/c1-5-18-46(19-6-1)53-35-40-60-64(43-53)65-44-54(59-31-17-27-48-25-15-16-30-58(48)59)36-41-61(65)68-66(62(49-21-7-2-8-22-49)45-63(67(60)68)50-23-9-3-10-24-50)51-33-37-56(38-34-51)69(55-28-11-4-12-29-55)57-39-32-47-20-13-14-26-52(47)42-57/h1-14,16-24,26-45H,15,25H2
InChIKeyLNNKCKDXIPLOLX-UHFFFAOYSA-N
XLogP19.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.13
LogP ≤ 519.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
N-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307671
4-(7-naphthalen-1-yl-3,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline;4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline;4-(10-naphthalen-2-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 161212019
4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline
CID 59307953
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline
CID 59307663
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 89083660
N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine
CID 159285564
N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59308764
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307963

Frequently Asked Questions

What is the IUPAC name of N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine (CID 89083534) is N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine is C1=Cc2c(cccc2-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)c32)CC1.
What is the InChIKey of N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is LNNKCKDXIPLOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N/c1-5-18-46(19-6-1)53-35-40-60-64(43-53)65-44-54(59-31-17-27-48-25-15-16-30-58(48)59)36-41-61(65)68-66(62(49-21-7-2-8-22-49)45-63(67(60)68)50-23-9-3-10-24-50)51-33-37-56(38-34-51)69(55-28-11-4-12-29-55)57-39-32-47-20-13-14-26-52(47)42-57/h1-14,16-24,26-45H,15,25H2.
What are the key properties of N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 878.13 g/mol, XLogP of 19.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 89083534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).