9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine

C198H137N9 — CID 160657368

IUPAC9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine
SMILES[2H]c1c([2H])c([2H])c2c(C3(c4cccc5c4c4ccccc4n5-c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccccc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c([2H])c(C3(c4ccc5c6ccccc6n(C)c5c4)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc43)c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c([2H])c(C3(c4cccc5c6ccccc6n(-c6ccccc6)c45)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc43)c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C69H47N3.C65H45N3.C64H45N3/c1-5-24-53(25-6-1)70(54-26-7-2-8-27-54)58-40-42-64-62(46-58)63-47-59(71(55-28-9-3-10-29-55)57-39-37-49-21-14-16-23-51(49)45-57)41-43-65(63)69(64,52-38-36-48-20-13-15-22-50(48)44-52)66-34-19-33-61-60-32-17-18-35-67(60)72(68(61)66)56-30-11-4-12-31-56;1-6-24-47(25-7-1)66(48-26-8-2-9-27-48)52-40-42-59-56(44-52)57-45-53(67(49-28-10-3-11-29-49)50-30-12-4-13-31-50)41-43-60(57)65(59,58-36-20-23-46-22-16-17-34-54(46)58)61-37-21-39-63-64(61)55-35-18-19-38-62(55)68(63)51-32-14-5-15-33-51;1-65-62-28-16-15-27-56(62)57-36-32-49(41-63(57)65)64(48-31-29-44-17-11-13-19-46(44)39-48)60-37-34-54(66(50-21-5-2-6-22-50)51-23-7-3-8-24-51)42-58(60)59-43-55(35-38-61(59)64)67(52-25-9-4-10-26-52)53-33-30-45-18-12-14-20-47(45)40-53/h1-47H;1-45H;2-43H,1H3/i13D,15D,20D,22D,36D,38D,44D;16D,17D,20D,22D,23D,34D,36D;11D,13D,17D,19D,29D,31D,39D
InChIKeyRLFKTLOVTOSRLB-ZSPCCMNUSA-N
MW2663.47 g/mol
LogP52.57
Rot. Bonds26

About 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine

9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine (PubChem CID 160657368) has the molecular formula C198H137N9 and a molecular weight of 2663.47 g/mol. Its IUPAC name is 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine.

Molecular Properties

Compound Name9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine
PubChem CID160657368
Molecular FormulaC198H137N9
Molecular Weight2663.47 g/mol
Exact Mass2661.23
IUPAC Name9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine
SMILES[2H]c1c([2H])c([2H])c2c(C3(c4cccc5c4c4ccccc4n5-c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccccc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c([2H])c(C3(c4ccc5c6ccccc6n(C)c5c4)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc43)c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c([2H])c(C3(c4cccc5c6ccccc6n(-c6ccccc6)c45)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc43)c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C69H47N3.C65H45N3.C64H45N3/c1-5-24-53(25-6-1)70(54-26-7-2-8-27-54)58-40-42-64-62(46-58)63-47-59(71(55-28-9-3-10-29-55)57-39-37-49-21-14-16-23-51(49)45-57)41-43-65(63)69(64,52-38-36-48-20-13-15-22-50(48)44-52)66-34-19-33-61-60-32-17-18-35-67(60)72(68(61)66)56-30-11-4-12-31-56;1-6-24-47(25-7-1)66(48-26-8-2-9-27-48)52-40-42-59-56(44-52)57-45-53(67(49-28-10-3-11-29-49)50-30-12-4-13-31-50)41-43-60(57)65(59,58-36-20-23-46-22-16-17-34-54(46)58)61-37-21-39-63-64(61)55-35-18-19-38-62(55)68(63)51-32-14-5-15-33-51;1-65-62-28-16-15-27-56(62)57-36-32-49(41-63(57)65)64(48-31-29-44-17-11-13-19-46(44)39-48)60-37-34-54(66(50-21-5-2-6-22-50)51-23-7-3-8-24-51)42-58(60)59-43-55(35-38-61(59)64)67(52-25-9-4-10-26-52)53-33-30-45-18-12-14-20-47(45)40-53/h1-47H;1-45H;2-43H,1H3/i13D,15D,20D,22D,36D,38D,44D;16D,17D,20D,22D,23D,34D,36D;11D,13D,17D,19D,29D,31D,39D
InChIKeyRLFKTLOVTOSRLB-ZSPCCMNUSA-N
XLogP52.57
TPSA34.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds26
Heavy Atoms207
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002663.47
LogP ≤ 552.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-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

Frequently Asked Questions

What is the IUPAC name of 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine?
The IUPAC name of 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine (CID 160657368) is 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine.
What is the SMILES notation for 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine?
The canonical SMILES for 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine is [2H]c1c([2H])c([2H])c2c(C3(c4cccc5c4c4ccccc4n5-c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccccc5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c([2H])c(C3(c4ccc5c6ccccc6n(C)c5c4)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc43)c([2H])c([2H])c2c1[2H].[2H]c1c([2H])c([2H])c2c([2H])c(C3(c4cccc5c6ccccc6n(-c6ccccc6)c45)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc43)c([2H])c([2H])c2c1[2H].
What is the InChIKey of 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine?
The InChIKey is RLFKTLOVTOSRLB-ZSPCCMNUSA-N. The full InChI is InChI=1S/C69H47N3.C65H45N3.C64H45N3/c1-5-24-53(25-6-1)70(54-26-7-2-8-27-54)58-40-42-64-62(46-58)63-47-59(71(55-28-9-3-10-29-55)57-39-37-49-21-14-16-23-51(49)45-57)41-43-65(63)69(64,52-38-36-48-20-13-15-22-50(48)44-52)66-34-19-33-61-60-32-17-18-35-67(60)72(68(61)66)56-30-11-4-12-31-56;1-6-24-47(25-7-1)66(48-26-8-2-9-27-48)52-40-42-59-56(44-52)57-45-53(67(49-28-10-3-11-29-49)50-30-12-4-13-31-50)41-43-60(57)65(59,58-36-20-23-46-22-16-17-34-54(46)58)61-37-21-39-63-64(61)55-35-18-19-38-62(55)68(63)51-32-14-5-15-33-51;1-65-62-28-16-15-27-56(62)57-36-32-49(41-63(57)65)64(48-31-29-44-17-11-13-19-46(44)39-48)60-37-34-54(66(50-21-5-2-6-22-50)51-23-7-3-8-24-51)42-58(60)59-43-55(35-38-61(59)64)67(52-25-9-4-10-26-52)53-33-30-45-18-12-14-20-47(45)40-53/h1-47H;1-45H;2-43H,1H3/i13D,15D,20D,22D,36D,38D,44D;16D,17D,20D,22D,23D,34D,36D;11D,13D,17D,19D,29D,31D,39D.
What are the key properties of 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine?
9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine has a molecular weight of 2663.47 g/mol, XLogP of 52.57, 26 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(9-methylcarbazol-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine;9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N,3-N,6-N,6-N-tetraphenyl-9-(9-phenylcarbazol-4-yl)fluorene-3,6-diamine is sourced from PubChem (CID 160657368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).