1-N,6-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-1,6-diamine

C152H115F5N6 — CID 160630208

IUPAC1-N,6-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-1,6-diamine
SMILES[2H]c1c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3ccc4c(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5c([2H])c([2H])c(F)c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c([2H])c1F.[2H]c1c([2H])c(N(c2ccc3c(c2)CCC3)c2ccc3ccc4c(N(c5ccc6c(c5)CCC6)c5c([2H])c([2H])c(F)c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c([2H])c1F.[2H]c1c([2H])c([2H])c(N(c2ccc3c(c2)CCCC3)c2ccc3ccc4c(N(c5ccc6c(c5)CCCC6)c5c([2H])c([2H])c(F)c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c1[2H]
InChIInChI=1S/C58H42F2N2.C48H39FN2.C46H34F2N2/c1-57(2)49-11-7-5-9-43(49)45-29-25-41(33-51(45)57)61(39-21-17-37(59)18-22-39)53-31-15-35-14-28-48-54(32-16-36-13-27-47(53)55(35)56(36)48)62(40-23-19-38(60)20-24-40)42-26-30-46-44-10-6-8-12-50(44)58(3,4)52(46)34-42;49-38-20-24-40(25-21-38)51(42-23-15-33-9-5-7-11-37(33)31-42)46-29-19-35-16-26-43-45(28-18-34-17-27-44(46)48(35)47(34)43)50(39-12-2-1-3-13-39)41-22-14-32-8-4-6-10-36(32)30-41;47-35-13-19-37(20-14-35)49(39-17-7-29-3-1-5-33(29)27-39)43-25-11-31-10-24-42-44(26-12-32-9-23-41(43)45(31)46(32)42)50(38-21-15-36(48)16-22-38)40-18-8-30-4-2-6-34(30)28-40/h5-34H,1-4H3;1-3,12-31H,4-11H2;7-28H,1-6H2/i17D,18D,19D,20D,21D,22D,23D,24D;1D,2D,3D,12D,13D,20D,21D,24D,25D;13D,14D,15D,16D,19D,20D,21D,22D
InChIKeyRHVCAFTYUGHEKT-VKXOEYGFSA-N
MW2145.78 g/mol
LogP42.61
Rot. Bonds18

About 1-N,6-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-1,6-diamine

1-N,6-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-1,6-diamine (PubChem CID 160630208) has the molecular formula C152H115F5N6 and a molecular weight of 2145.78 g/mol. Its IUPAC name is 1-N,6-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-1,6-diamine
PubChem CID160630208
Molecular FormulaC152H115F5N6
Molecular Weight2145.78 g/mol
Exact Mass2144.07
IUPAC Name1-N,6-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-1,6-diamine
SMILES[2H]c1c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3ccc4c(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5c([2H])c([2H])c(F)c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c([2H])c1F.[2H]c1c([2H])c(N(c2ccc3c(c2)CCC3)c2ccc3ccc4c(N(c5ccc6c(c5)CCC6)c5c([2H])c([2H])c(F)c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c([2H])c1F.[2H]c1c([2H])c([2H])c(N(c2ccc3c(c2)CCCC3)c2ccc3ccc4c(N(c5ccc6c(c5)CCCC6)c5c([2H])c([2H])c(F)c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c1[2H]
InChIInChI=1S/C58H42F2N2.C48H39FN2.C46H34F2N2/c1-57(2)49-11-7-5-9-43(49)45-29-25-41(33-51(45)57)61(39-21-17-37(59)18-22-39)53-31-15-35-14-28-48-54(32-16-36-13-27-47(53)55(35)56(36)48)62(40-23-19-38(60)20-24-40)42-26-30-46-44-10-6-8-12-50(44)58(3,4)52(46)34-42;49-38-20-24-40(25-21-38)51(42-23-15-33-9-5-7-11-37(33)31-42)46-29-19-35-16-26-43-45(28-18-34-17-27-44(46)48(35)47(34)43)50(39-12-2-1-3-13-39)41-22-14-32-8-4-6-10-36(32)30-41;47-35-13-19-37(20-14-35)49(39-17-7-29-3-1-5-33(29)27-39)43-25-11-31-10-24-42-44(26-12-32-9-23-41(43)45(31)46(32)42)50(38-21-15-36(48)16-22-38)40-18-8-30-4-2-6-34(30)28-40/h5-34H,1-4H3;1-3,12-31H,4-11H2;7-28H,1-6H2/i17D,18D,19D,20D,21D,22D,23D,24D;1D,2D,3D,12D,13D,20D,21D,24D,25D;13D,14D,15D,16D,19D,20D,21D,22D
InChIKeyRHVCAFTYUGHEKT-VKXOEYGFSA-N
XLogP42.61
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms163
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002145.78
LogP ≤ 542.61
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-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-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

N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine
CID 134432413
1-N,6-N-bis(3-fluorophenyl)-1-N,6-N-bis(2,3,4,5,6-pentadeuteriophenyl)pyrene-1,6-diamine
CID 59222089
N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine
CID 134432412
9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445163
9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine
CID 171452097
9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170538805
2-N-(9,9-dimethylfluoren-3-yl)-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791512
2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N',1'-triphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791346
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177100506
9,9-dimethyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
CID 171451823
9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170446751
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447564

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-1,6-diamine (CID 160630208) is 1-N,6-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-1,6-diamine is [2H]c1c([2H])c(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3ccc4c(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5c([2H])c([2H])c(F)c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c([2H])c1F.[2H]c1c([2H])c(N(c2ccc3c(c2)CCC3)c2ccc3ccc4c(N(c5ccc6c(c5)CCC6)c5c([2H])c([2H])c(F)c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c([2H])c1F.[2H]c1c([2H])c([2H])c(N(c2ccc3c(c2)CCCC3)c2ccc3ccc4c(N(c5ccc6c(c5)CCCC6)c5c([2H])c([2H])c(F)c([2H])c5[2H])ccc5ccc2c3c54)c([2H])c1[2H].
What is the InChIKey of 1-N,6-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-1,6-diamine?
The InChIKey is RHVCAFTYUGHEKT-VKXOEYGFSA-N. The full InChI is InChI=1S/C58H42F2N2.C48H39FN2.C46H34F2N2/c1-57(2)49-11-7-5-9-43(49)45-29-25-41(33-51(45)57)61(39-21-17-37(59)18-22-39)53-31-15-35-14-28-48-54(32-16-36-13-27-47(53)55(35)56(36)48)62(40-23-19-38(60)20-24-40)42-26-30-46-44-10-6-8-12-50(44)58(3,4)52(46)34-42;49-38-20-24-40(25-21-38)51(42-23-15-33-9-5-7-11-37(33)31-42)46-29-19-35-16-26-43-45(28-18-34-17-27-44(46)48(35)47(34)43)50(39-12-2-1-3-13-39)41-22-14-32-8-4-6-10-36(32)30-41;47-35-13-19-37(20-14-35)49(39-17-7-29-3-1-5-33(29)27-39)43-25-11-31-10-24-42-44(26-12-32-9-23-41(43)45(31)46(32)42)50(38-21-15-36(48)16-22-38)40-18-8-30-4-2-6-34(30)28-40/h5-34H,1-4H3;1-3,12-31H,4-11H2;7-28H,1-6H2/i17D,18D,19D,20D,21D,22D,23D,24D;1D,2D,3D,12D,13D,20D,21D,24D,25D;13D,14D,15D,16D,19D,20D,21D,22D.
What are the key properties of 1-N,6-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-1,6-diamine?
1-N,6-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-1,6-diamine has a molecular weight of 2145.78 g/mol, XLogP of 42.61, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(2,3-dihydro-1H-inden-5-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(2,3,5,6-tetradeuterio-4-fluorophenyl)pyrene-1,6-diamine;6-N-(2,3,4,5,6-pentadeuteriophenyl)-1-N-(2,3,5,6-tetradeuterio-4-fluorophenyl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)pyrene-1,6-diamine is sourced from PubChem (CID 160630208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).