N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine

C191H125N3 — CID 162244011

IUPACN-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)c5ccc6ccccc6c5)ccc4c3c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5cc6ccc7cccc8ccc(c5)c6c78)ccc4c3c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5ccc6c7cccc8cccc(c9cccc5c96)c87)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C66H41N.C63H45N.C62H39N/c1-4-18-43(19-5-1)58-41-59(44-20-6-2-7-21-44)65-51-28-13-12-27-50(51)60-40-49(35-36-56(60)66(65)63(58)46-22-8-3-9-23-46)67(48-34-33-42-17-10-11-24-47(42)39-48)61-38-37-55-53-30-15-26-45-25-14-29-52(62(45)53)54-31-16-32-57(61)64(54)55;1-4-19-43(20-5-1)55-41-56(44-21-6-2-7-22-44)61-53-28-13-12-26-50(53)57-39-48(33-35-54(57)62(61)60(55)45-23-8-3-9-24-45)64(47-31-30-42-18-10-11-25-46(42)38-47)49-32-34-52-51-27-14-15-29-58(51)63(59(52)40-49)36-16-17-37-63;1-4-16-41(17-5-1)55-39-56(42-18-6-2-7-19-42)61-53-26-13-12-25-52(53)57-38-50(33-34-54(57)62(61)60(55)43-20-8-3-9-21-43)63(49-32-31-40-15-10-11-22-46(40)35-49)51-36-47-29-27-44-23-14-24-45-28-30-48(37-51)59(47)58(44)45/h1-41H;1-15,18-35,38-41H,16-17,36-37H2;1-39H
InChIKeyZXBVCJKWPKOGHX-UHFFFAOYSA-N
MW2462.12 g/mol
LogP54.10
Rot. Bonds18

About N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine

N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine (PubChem CID 162244011) has the molecular formula C191H125N3 and a molecular weight of 2462.12 g/mol. Its IUPAC name is N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine
PubChem CID162244011
Molecular FormulaC191H125N3
Molecular Weight2462.12 g/mol
Exact Mass2459.99
IUPAC NameN-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)c5ccc6ccccc6c5)ccc4c3c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5cc6ccc7cccc8ccc(c5)c6c78)ccc4c3c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5ccc6c7cccc8cccc(c9cccc5c96)c87)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C66H41N.C63H45N.C62H39N/c1-4-18-43(19-5-1)58-41-59(44-20-6-2-7-21-44)65-51-28-13-12-27-50(51)60-40-49(35-36-56(60)66(65)63(58)46-22-8-3-9-23-46)67(48-34-33-42-17-10-11-24-47(42)39-48)61-38-37-55-53-30-15-26-45-25-14-29-52(62(45)53)54-31-16-32-57(61)64(54)55;1-4-19-43(20-5-1)55-41-56(44-21-6-2-7-22-44)61-53-28-13-12-26-50(53)57-39-48(33-35-54(57)62(61)60(55)45-23-8-3-9-24-45)64(47-31-30-42-18-10-11-25-46(42)38-47)49-32-34-52-51-27-14-15-29-58(51)63(59(52)40-49)36-16-17-37-63;1-4-16-41(17-5-1)55-39-56(42-18-6-2-7-19-42)61-53-26-13-12-25-52(53)57-38-50(33-34-54(57)62(61)60(55)43-20-8-3-9-21-43)63(49-32-31-40-15-10-11-22-46(40)35-49)51-36-47-29-27-44-23-14-24-45-28-30-48(37-51)59(47)58(44)45/h1-41H;1-15,18-35,38-41H,16-17,36-37H2;1-39H
InChIKeyZXBVCJKWPKOGHX-UHFFFAOYSA-N
XLogP54.10
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002462.12
LogP ≤ 554.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine
CID 59307655
N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308019
6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine
CID 89083927
9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine
CID 59308268
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308231
N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308865
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59307862
N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672313
N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308579
3'-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729094
N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59308764

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine?
The IUPAC name of N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine (CID 162244011) is N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine?
The canonical SMILES for N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine is c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)c5ccc6ccccc6c5)ccc4c3c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5cc6ccc7cccc8ccc(c5)c6c78)ccc4c3c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccc6ccccc6c5)c5ccc6c7cccc8cccc(c9cccc5c96)c87)ccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine?
The InChIKey is ZXBVCJKWPKOGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N.C63H45N.C62H39N/c1-4-18-43(19-5-1)58-41-59(44-20-6-2-7-21-44)65-51-28-13-12-27-50(51)60-40-49(35-36-56(60)66(65)63(58)46-22-8-3-9-23-46)67(48-34-33-42-17-10-11-24-47(42)39-48)61-38-37-55-53-30-15-26-45-25-14-29-52(62(45)53)54-31-16-32-57(61)64(54)55;1-4-19-43(20-5-1)55-41-56(44-21-6-2-7-22-44)61-53-28-13-12-26-50(53)57-39-48(33-35-54(57)62(61)60(55)45-23-8-3-9-24-45)64(47-31-30-42-18-10-11-25-46(42)38-47)49-32-34-52-51-27-14-15-29-58(51)63(59(52)40-49)36-16-17-37-63;1-4-16-41(17-5-1)55-39-56(42-18-6-2-7-19-42)61-53-26-13-12-25-52(53)57-38-50(33-34-54(57)62(61)60(55)43-20-8-3-9-21-43)63(49-32-31-40-15-10-11-22-46(40)35-49)51-36-47-29-27-44-23-14-24-45-28-30-48(37-51)59(47)58(44)45/h1-41H;1-15,18-35,38-41H,16-17,36-37H2;1-39H.
What are the key properties of N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine?
N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine has a molecular weight of 2462.12 g/mol, XLogP of 54.10, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine is sourced from PubChem (CID 162244011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).