N-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine

C74H48N2 — CID 59841653

IUPACN-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine
SMILESCc1cccc(N(c2c3ccccc3c(-c3c4ccccc4c(N(c4cccc(C)c4)c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccccc34)c3ccccc23)c2ccc3c4c(cccc24)-c2ccccc2-3)c1
InChIInChI=1S/C74H48N2/c1-45-19-15-21-47(43-45)75(67-41-39-59-51-25-5-3-23-49(51)53-35-17-37-65(67)69(53)59)73-61-31-11-7-27-55(61)71(56-28-8-12-32-62(56)73)72-57-29-9-13-33-63(57)74(64-34-14-10-30-58(64)72)76(48-22-16-20-46(2)44-48)68-42-40-60-52-26-6-4-24-50(52)54-36-18-38-66(68)70(54)60/h3-44H,1-2H3
InChIKeyOKAKKTYAJRBFRX-UHFFFAOYSA-N
MW965.21 g/mol
LogP21.12
Rot. Bonds7

About N-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine

N-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine (PubChem CID 59841653) has the molecular formula C74H48N2 and a molecular weight of 965.21 g/mol. Its IUPAC name is N-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine.

Molecular Properties

Compound NameN-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine
PubChem CID59841653
Molecular FormulaC74H48N2
Molecular Weight965.21 g/mol
Exact Mass964.38
IUPAC NameN-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine
SMILESCc1cccc(N(c2c3ccccc3c(-c3c4ccccc4c(N(c4cccc(C)c4)c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccccc34)c3ccccc23)c2ccc3c4c(cccc24)-c2ccccc2-3)c1
InChIInChI=1S/C74H48N2/c1-45-19-15-21-47(43-45)75(67-41-39-59-51-25-5-3-23-49(51)53-35-17-37-65(67)69(53)59)73-61-31-11-7-27-55(61)71(56-28-8-12-32-62(56)73)72-57-29-9-13-33-63(57)74(64-34-14-10-30-58(64)72)76(48-22-16-20-46(2)44-48)68-42-40-60-52-26-6-4-24-50(52)54-36-18-38-66(68)70(54)60/h3-44H,1-2H3
InChIKeyOKAKKTYAJRBFRX-UHFFFAOYSA-N
XLogP21.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.21
LogP ≤ 521.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(3-methylphenyl)fluoranthen-3-amine
CID 70891339
2-N,6-N-di(fluoranthen-3-yl)-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine
CID 90194191
N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine
CID 58903856
9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine
CID 20734448
N,N-bis(3-methylphenyl)-1-naphthalen-1-ylnaphthalen-2-amine
CID 164774001
N-[9,9-dimethyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(3-methylphenyl)fluoranthen-3-amine
CID 89067725
ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
CID 91567047
N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine
CID 23534512
ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143650300
1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 20754061
1-N-(3-methylphenyl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 143254467
3-(3-methylphenyl)fluoranthene
CID 123478210

Frequently Asked Questions

What is the IUPAC name of N-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine?
The IUPAC name of N-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine (CID 59841653) is N-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine.
What is the SMILES notation for N-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine?
The canonical SMILES for N-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine is Cc1cccc(N(c2c3ccccc3c(-c3c4ccccc4c(N(c4cccc(C)c4)c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccccc34)c3ccccc23)c2ccc3c4c(cccc24)-c2ccccc2-3)c1.
What is the InChIKey of N-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine?
The InChIKey is OKAKKTYAJRBFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2/c1-45-19-15-21-47(43-45)75(67-41-39-59-51-25-5-3-23-49(51)53-35-17-37-65(67)69(53)59)73-61-31-11-7-27-55(61)71(56-28-8-12-32-62(56)73)72-57-29-9-13-33-63(57)74(64-34-14-10-30-58(64)72)76(48-22-16-20-46(2)44-48)68-42-40-60-52-26-6-4-24-50(52)54-36-18-38-66(68)70(54)60/h3-44H,1-2H3.
What are the key properties of N-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine?
N-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine has a molecular weight of 965.21 g/mol, XLogP of 21.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-[10-(N-fluoranthen-3-yl-3-methylanilino)anthracen-9-yl]anthracen-9-yl]-N-(3-methylphenyl)fluoranthen-3-amine is sourced from PubChem (CID 59841653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).