1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine

C118H88N4O2 — CID 159264056

IUPAC1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(C8CCCCC8)cc8ccccc8c67)ccc6ccc3c4c65)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCCC7)cc7ccccc7c56)ccc5ccc2c3c54)cc1
InChIInChI=1S/C62H46N2O.C56H42N2O/c1-5-16-41(17-6-1)42-28-34-49(35-29-42)63(47-21-9-3-10-22-47)55-38-32-44-31-37-52-56(39-33-45-30-36-51(55)58(44)59(45)52)64(48-23-11-4-12-24-48)57-27-15-26-53-60-50-25-14-13-20-46(50)40-54(62(60)65-61(53)57)43-18-7-2-8-19-43;1-5-16-37(17-6-1)48-36-40-18-13-14-25-44(40)54-47-26-15-27-51(55(47)59-56(48)54)58(43-23-11-4-12-24-43)50-35-31-39-28-32-45-49(34-30-38-29-33-46(50)53(39)52(38)45)57(41-19-7-2-8-20-41)42-21-9-3-10-22-42/h1,3-6,9-17,20-40,43H,2,7-8,18-19H2;2-4,7-15,18-37H,1,5-6,16-17H2
InChIKeyKWWIMKKWFHUZPL-UHFFFAOYSA-N
MW1594.03 g/mol
LogP34.91
Rot. Bonds15

About 1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine

1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine (PubChem CID 159264056) has the molecular formula C118H88N4O2 and a molecular weight of 1594.03 g/mol. Its IUPAC name is 1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine.

Molecular Properties

Compound Name1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
PubChem CID159264056
Molecular FormulaC118H88N4O2
Molecular Weight1594.03 g/mol
Exact Mass1592.69
IUPAC Name1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(C8CCCCC8)cc8ccccc8c67)ccc6ccc3c4c65)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCCC7)cc7ccccc7c56)ccc5ccc2c3c54)cc1
InChIInChI=1S/C62H46N2O.C56H42N2O/c1-5-16-41(17-6-1)42-28-34-49(35-29-42)63(47-21-9-3-10-22-47)55-38-32-44-31-37-52-56(39-33-45-30-36-51(55)58(44)59(45)52)64(48-23-11-4-12-24-48)57-27-15-26-53-60-50-25-14-13-20-46(50)40-54(62(60)65-61(53)57)43-18-7-2-8-19-43;1-5-16-37(17-6-1)48-36-40-18-13-14-25-44(40)54-47-26-15-27-51(55(47)59-56(48)54)58(43-23-11-4-12-24-43)50-35-31-39-28-32-45-49(34-30-38-29-33-46(50)53(39)52(38)45)57(41-19-7-2-8-20-41)42-21-9-3-10-22-42/h1,3-6,9-17,20-40,43H,2,7-8,18-19H2;2-4,7-15,18-37H,1,5-6,16-17H2
InChIKeyKWWIMKKWFHUZPL-UHFFFAOYSA-N
XLogP34.91
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001594.03
LogP ≤ 534.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 146579315
9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 137487958
1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918646
6-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289732
6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290545
1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-9-yl)pyrene-1,6-diamine
CID 157384070
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167182004
1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 159507395
5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N-(3-phenylphenyl)-9-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 90262741
8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine
CID 167090878
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167183316
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289864

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine?
The IUPAC name of 1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine (CID 159264056) is 1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine.
What is the SMILES notation for 1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine?
The canonical SMILES for 1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(C8CCCCC8)cc8ccccc8c67)ccc6ccc3c4c65)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCCC7)cc7ccccc7c56)ccc5ccc2c3c54)cc1.
What is the InChIKey of 1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine?
The InChIKey is KWWIMKKWFHUZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2O.C56H42N2O/c1-5-16-41(17-6-1)42-28-34-49(35-29-42)63(47-21-9-3-10-22-47)55-38-32-44-31-37-52-56(39-33-45-30-36-51(55)58(44)59(45)52)64(48-23-11-4-12-24-48)57-27-15-26-53-60-50-25-14-13-20-46(50)40-54(62(60)65-61(53)57)43-18-7-2-8-19-43;1-5-16-37(17-6-1)48-36-40-18-13-14-25-44(40)54-47-26-15-27-51(55(47)59-56(48)54)58(43-23-11-4-12-24-43)50-35-31-39-28-32-45-49(34-30-38-29-33-46(50)53(39)52(38)45)57(41-19-7-2-8-20-41)42-21-9-3-10-22-42/h1,3-6,9-17,20-40,43H,2,7-8,18-19H2;2-4,7-15,18-37H,1,5-6,16-17H2.
What are the key properties of 1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine?
1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine has a molecular weight of 1594.03 g/mol, XLogP of 34.91, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine is sourced from PubChem (CID 159264056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).