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

C64H49N — CID 118178093

IUPAC9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5cccc6c(-c7c8c(c(-c9ccccc9)c9c7CCCC9)CCCC8)ccc(c7cccc3c74)c65)cc2)cc1
InChIInChI=1S/C64H49N/c1-4-16-42(17-5-1)44-30-34-47(35-31-44)65(48-36-32-45(33-37-48)43-18-6-2-7-19-43)60-41-40-58-54-27-14-26-53-56(38-39-57(63(53)54)55-28-15-29-59(60)64(55)58)62-51-24-12-10-22-49(51)61(46-20-8-3-9-21-46)50-23-11-13-25-52(50)62/h1-9,14-21,26-41H,10-13,22-25H2
InChIKeyPGMJSGKJMNCZMO-UHFFFAOYSA-N
MW832.10 g/mol
LogP17.63
Rot. Bonds7

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

9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine (PubChem CID 118178093) has the molecular formula C64H49N and a molecular weight of 832.10 g/mol. Its IUPAC name is 9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine.

Molecular Properties

Compound Name9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine
PubChem CID118178093
Molecular FormulaC64H49N
Molecular Weight832.10 g/mol
Exact Mass831.39
IUPAC Name9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5cccc6c(-c7c8c(c(-c9ccccc9)c9c7CCCC9)CCCC8)ccc(c7cccc3c74)c65)cc2)cc1
InChIInChI=1S/C64H49N/c1-4-16-42(17-5-1)44-30-34-47(35-31-44)65(48-36-32-45(33-37-48)43-18-6-2-7-19-43)60-41-40-58-54-27-14-26-53-56(38-39-57(63(53)54)55-28-15-29-59(60)64(55)58)62-51-24-12-10-22-49(51)61(46-20-8-3-9-21-46)50-23-11-13-25-52(50)62/h1-9,14-21,26-41H,10-13,22-25H2
InChIKeyPGMJSGKJMNCZMO-UHFFFAOYSA-N
XLogP17.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.10
LogP ≤ 517.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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
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
3-N,9-N-bis[4-(N-phenylanilino)phenyl]-3-N,9-N-bis(4-trimethylgermylphenyl)perylene-3,9-diamine;3-N,9-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]-3-N,9-N-bis(4-trimethylgermylphenyl)perylene-3,9-diamine
CID 162068831
N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118178078
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
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
ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
CID 91567047
N,N-bis(4-phenylphenyl)-10-pyren-2-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine
CID 118178040
3-N,3-N,10-N,10-N-tetrakis(4-methylphenyl)perylene-3,10-diamine
CID 20710089
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-amine
CID 146509754
N,N,3,15-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine
CID 58068321
2-N,6-N-di(fluoranthen-3-yl)-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine
CID 90194191

Frequently Asked Questions

What is the IUPAC name of 9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine?
The IUPAC name of 9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine (CID 118178093) is 9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine.
What is the SMILES notation for 9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine?
The canonical SMILES for 9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5cccc6c(-c7c8c(c(-c9ccccc9)c9c7CCCC9)CCCC8)ccc(c7cccc3c74)c65)cc2)cc1.
What is the InChIKey of 9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine?
The InChIKey is PGMJSGKJMNCZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49N/c1-4-16-42(17-5-1)44-30-34-47(35-31-44)65(48-36-32-45(33-37-48)43-18-6-2-7-19-43)60-41-40-58-54-27-14-26-53-56(38-39-57(63(53)54)55-28-15-29-59(60)64(55)58)62-51-24-12-10-22-49(51)61(46-20-8-3-9-21-46)50-23-11-13-25-52(50)62/h1-9,14-21,26-41H,10-13,22-25H2.
What are the key properties of 9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine?
9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine has a molecular weight of 832.10 g/mol, XLogP of 17.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine is sourced from PubChem (CID 118178093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).