6-[3,6-bis[4b,8a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-9-(4-tert-butylphenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[3,8-bis[9-[4-(dimethylamino)phenyl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-6-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylaniline

C276H261F15N12 — CID 159081456

About 6-[3,6-bis[4b,8a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-9-(4-tert-butylphenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[3,8-bis[9-[4-(dimethylamino)phenyl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-6-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylaniline

6-[3,6-bis[4b,8a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-9-(4-tert-butylphenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[3,8-bis[9-[4-(dimethylamino)phenyl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-6-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylaniline (PubChem CID 159081456) has the molecular formula C276H261F15N12 and a molecular weight of 4031.18 g/mol. Its IUPAC name is 6-[3,6-bis[4b,8a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-9-(4-tert-butylphenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[3,8-bis[9-[4-(dimethylamino)phenyl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-6-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 6-[3,6-bis[4b,8a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-9-(4-tert-butylphenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[3,8-bis[9-[4-(dimethylamino)phenyl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-6-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylaniline
• PubChem CID: 159081456
• Molecular Formula: C276H261F15N12
• Molecular Weight: 4031.18 g/mol
• Exact Mass: 4028.06
• IUPAC Name: 6-[3,6-bis[4b,8a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-9-(4-tert-butylphenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[3,8-bis[9-[4-(dimethylamino)phenyl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-6-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylaniline
• SMILES: CC(C)(C)c1ccc(N2c3ccc(-c4cc(-c5ccc6c(c5)C5(C)CCCCC5(C)N6c5ccc(C(C)(C)C)cc5)c5ccc6c(-c7cccc8ccccc78)cc(-c7ccc8c(c7)C7(C)CCCCC7(C)N8c7ccc(C(C)(C)C)cc7)c7ccc4c5c76)cc3C3(C)CCCCC23C)cc1.CC12CCCCC1(C)N(c1c(F)c(F)c(F)c(F)c1F)c1ccc(-c3cc(-c4ccc5c(c4)C4(C)CCCCC4(C)N5c4c(F)c(F)c(F)c(F)c4F)c4ccc5c(-c6cccc7ccccc67)cc(-c6ccc7c(c6)C6(C)CCCCC6(C)N7c6c(F)c(F)c(F)c(F)c6F)c6ccc3c4c65)cc12.CN(C)c1ccc(N2c3ccc(-c4cc(-c5ccc6c(c5)C5(C)CCCCC5(C)N6c5ccc(N(C)C)cc5)c5ccc6c(-c7cccc8ccccc78)cc(-c7ccc8c(c7)C7(C)CCCCC7(C)N8c7ccc(N(C)C)cc7)c7ccc4c5c76)cc3C3(C)CCCCC23C)cc1
• InChI: InChI=1S/C98H103N3.C92H94N6.C86H64F15N3/c1-90(2,3)66-32-38-69(39-33-66)99-85-48-29-63(57-82(85)93(10)51-18-21-54-96(93,99)13)78-60-79(64-30-49-86-83(58-64)94(11)52-19-22-55-97(94,14)100(86)70-40-34-67(35-41-70)91(4,5)6)75-46-47-77-81(73-28-24-26-62-25-16-17-27-72(62)73)61-80(76-45-44-74(78)88(75)89(76)77)65-31-50-87-84(59-65)95(12)53-20-23-56-98(95,15)101(87)71-42-36-68(37-43-71)92(7,8)9;1-87-48-15-18-51-90(87,4)96(66-35-29-63(30-36-66)93(7)8)82-45-26-60(54-79(82)87)75-57-76(61-27-46-83-80(55-61)88(2)49-16-19-52-91(88,5)97(83)67-37-31-64(32-38-67)94(9)10)72-43-44-74-78(70-25-21-23-59-22-13-14-24-69(59)70)58-77(73-42-41-71(75)85(72)86(73)74)62-28-47-84-81(56-62)89(3)50-17-20-53-92(89,6)98(84)68-39-33-65(34-40-68)95(11)12;1-81-30-9-12-33-84(81,4)102(78-72(96)66(90)63(87)67(91)73(78)97)58-27-20-42(36-55(58)81)51-39-52(43-21-28-59-56(37-43)82(2)31-10-13-34-85(82,5)103(59)79-74(98)68(92)64(88)69(93)75(79)99)48-25-26-50-54(46-19-15-17-41-16-7-8-18-45(41)46)40-53(49-24-23-47(51)61(48)62(49)50)44-22-29-60-57(38-44)83(3)32-11-14-35-86(83,6)104(60)80-76(100)70(94)65(89)71(95)77(80)101/h16-17,24-50,57-61H,18-23,51-56H2,1-15H3;13-14,21-47,54-58H,15-20,48-53H2,1-12H3;7-8,15-29,36-40H,9-14,30-35H2,1-6H3
• InChIKey: KAXIOKLCEDVNDZ-UHFFFAOYSA-N
• XLogP: 77.07
• TPSA: 38.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 303
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4031.18
LogP ≤ 5	77.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[3,6-bis[4b,8a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-9-(4-tert-butylphenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[3,8-bis[9-[4-(dimethylamino)phenyl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-6-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylaniline?

The IUPAC name of 6-[3,6-bis[4b,8a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-9-(4-tert-butylphenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[3,8-bis[9-[4-(dimethylamino)phenyl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-6-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylaniline (CID 159081456) is 6-[3,6-bis[4b,8a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-9-(4-tert-butylphenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[3,8-bis[9-[4-(dimethylamino)phenyl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-6-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylaniline.

What is the SMILES notation for 6-[3,6-bis[4b,8a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-9-(4-tert-butylphenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[3,8-bis[9-[4-(dimethylamino)phenyl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-6-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylaniline?

The canonical SMILES for 6-[3,6-bis[4b,8a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-9-(4-tert-butylphenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[3,8-bis[9-[4-(dimethylamino)phenyl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-6-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylaniline is CC(C)(C)c1ccc(N2c3ccc(-c4cc(-c5ccc6c(c5)C5(C)CCCCC5(C)N6c5ccc(C(C)(C)C)cc5)c5ccc6c(-c7cccc8ccccc78)cc(-c7ccc8c(c7)C7(C)CCCCC7(C)N8c7ccc(C(C)(C)C)cc7)c7ccc4c5c76)cc3C3(C)CCCCC23C)cc1.CC12CCCCC1(C)N(c1c(F)c(F)c(F)c(F)c1F)c1ccc(-c3cc(-c4ccc5c(c4)C4(C)CCCCC4(C)N5c4c(F)c(F)c(F)c(F)c4F)c4ccc5c(-c6cccc7ccccc67)cc(-c6ccc7c(c6)C6(C)CCCCC6(C)N7c6c(F)c(F)c(F)c(F)c6F)c6ccc3c4c65)cc12.CN(C)c1ccc(N2c3ccc(-c4cc(-c5ccc6c(c5)C5(C)CCCCC5(C)N6c5ccc(N(C)C)cc5)c5ccc6c(-c7cccc8ccccc78)cc(-c7ccc8c(c7)C7(C)CCCCC7(C)N8c7ccc(N(C)C)cc7)c7ccc4c5c76)cc3C3(C)CCCCC23C)cc1.

What is the InChIKey of 6-[3,6-bis[4b,8a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-9-(4-tert-butylphenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[3,8-bis[9-[4-(dimethylamino)phenyl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-6-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylaniline?

The InChIKey is KAXIOKLCEDVNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H103N3.C92H94N6.C86H64F15N3/c1-90(2,3)66-32-38-69(39-33-66)99-85-48-29-63(57-82(85)93(10)51-18-21-54-96(93,99)13)78-60-79(64-30-49-86-83(58-64)94(11)52-19-22-55-97(94,14)100(86)70-40-34-67(35-41-70)91(4,5)6)75-46-47-77-81(73-28-24-26-62-25-16-17-27-72(62)73)61-80(76-45-44-74(78)88(75)89(76)77)65-31-50-87-84(59-65)95(12)53-20-23-56-98(95,15)101(87)71-42-36-68(37-43-71)92(7,8)9;1-87-48-15-18-51-90(87,4)96(66-35-29-63(30-36-66)93(7)8)82-45-26-60(54-79(82)87)75-57-76(61-27-46-83-80(55-61)88(2)49-16-19-52-91(88,5)97(83)67-37-31-64(32-38-67)94(9)10)72-43-44-74-78(70-25-21-23-59-22-13-14-24-69(59)70)58-77(73-42-41-71(75)85(72)86(73)74)62-28-47-84-81(56-62)89(3)50-17-20-53-92(89,6)98(84)68-39-33-65(34-40-68)95(11)12;1-81-30-9-12-33-84(81,4)102(78-72(96)66(90)63(87)67(91)73(78)97)58-27-20-42(36-55(58)81)51-39-52(43-21-28-59-56(37-43)82(2)31-10-13-34-85(82,5)103(59)79-74(98)68(92)64(88)69(93)75(79)99)48-25-26-50-54(46-19-15-17-41-16-7-8-18-45(41)46)40-53(49-24-23-47(51)61(48)62(49)50)44-22-29-60-57(38-44)83(3)32-11-14-35-86(83,6)104(60)80-76(100)70(94)65(89)71(95)77(80)101/h16-17,24-50,57-61H,18-23,51-56H2,1-15H3;13-14,21-47,54-58H,15-20,48-53H2,1-12H3;7-8,15-29,36-40H,9-14,30-35H2,1-6H3.

What are the key properties of 6-[3,6-bis[4b,8a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-9-(4-tert-butylphenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[3,8-bis[9-[4-(dimethylamino)phenyl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-6-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylaniline?

6-[3,6-bis[4b,8a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-9-(4-tert-butylphenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[3,8-bis[9-[4-(dimethylamino)phenyl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-6-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylaniline has a molecular weight of 4031.18 g/mol, XLogP of 77.07, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3,6-bis[4b,8a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-9-(2,3,4,5,6-pentafluorophenyl)-1,2,3,4-tetrahydrocarbazole;6-[3,6-bis[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-8-naphthalen-1-ylpyren-1-yl]-9-(4-tert-butylphenyl)-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;4-[6-[3,8-bis[9-[4-(dimethylamino)phenyl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-6-naphthalen-1-ylpyren-1-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylaniline is sourced from PubChem (CID 159081456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).