Question 1

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,9,10-triphenylanthracen-2-amine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N-diphenylanthracene-9,10-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N,2-triphenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N,2-pentanaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-naphthalen-2-ylanthracene-9,10-diamine?

Accepted Answer

The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,9,10-triphenylanthracen-2-amine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N-diphenylanthracene-9,10-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N,2-triphenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N,2-pentanaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-naphthalen-2-ylanthracene-9,10-diamine (CID 158705725) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,9,10-triphenylanthracen-2-amine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N-diphenylanthracene-9,10-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N,2-triphenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N,2-pentanaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-naphthalen-2-ylanthracene-9,10-diamine.

Question 2

What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,9,10-triphenylanthracen-2-amine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N-diphenylanthracene-9,10-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N,2-triphenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N,2-pentanaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-naphthalen-2-ylanthracene-9,10-diamine?

Accepted Answer

The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,9,10-triphenylanthracen-2-amine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N-diphenylanthracene-9,10-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N,2-triphenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N,2-pentanaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-naphthalen-2-ylanthracene-9,10-diamine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc3)cc21.Cc1c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2c(C)c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc12.Cc1c2ccc(N(c3ccccc3)c3ccccc3)cc2c(C)c2ccc(N(c3ccccc3)c3ccccc3)cc12.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3cc(-c4ccc5ccccc5c4)ccc23)cc1.c1ccc(-c2ccc3c(N(c4ccccc4)c4ccc5ccccc5c4)c4ccccc4c(N(c4ccccc4)c4ccc5ccccc5c4)c3c2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2c3ccccc3c(N(c3ccccc3)c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc2cc(-c3ccc4c(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)c5ccccc5c(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)c4c3)ccc2c1.

Question 3

What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,9,10-triphenylanthracen-2-amine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N-diphenylanthracene-9,10-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N,2-triphenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N,2-pentanaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-naphthalen-2-ylanthracene-9,10-diamine?

Accepted Answer

The InChIKey is IIBWOGKPXLVUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2.C56H40N2.C53H39N.C52H36N2.C52H42N2.C46H32N2.C40H32N2/c1-6-18-48-37-53(26-25-43(48)13-1)54-31-36-61-62(42-54)64(66(57-34-29-46-16-4-9-21-51(46)40-57)58-35-30-47-17-5-10-22-52(47)41-58)60-24-12-11-23-59(60)63(61)65(55-32-27-44-14-2-7-19-49(44)38-55)56-33-28-45-15-3-8-20-50(45)39-56;1-37-45-33-31-44(58(55-29-13-21-41-17-5-9-25-49(41)55)56-30-14-22-42-18-6-10-26-50(42)56)36-52(45)38(2)46-34-32-43(35-51(37)46)57(53-27-11-19-39-15-3-7-23-47(39)53)54-28-12-20-40-16-4-8-24-48(40)54;1-53(2)49-25-15-14-22-43(49)44-32-28-39(34-50(44)53)36-26-29-41(30-27-36)54(40-20-10-5-11-21-40)42-31-33-47-48(35-42)52(38-18-8-4-9-19-38)46-24-13-12-23-45(46)51(47)37-16-6-3-7-17-37;1-4-16-37(17-5-1)42-30-33-49-50(36-42)52(54(44-24-8-3-9-25-44)46-32-29-39-19-11-13-21-41(39)35-46)48-27-15-14-26-47(48)51(49)53(43-22-6-2-7-23-43)45-31-28-38-18-10-12-20-40(38)34-45;1-35-13-24-43(25-14-35)53(44-26-15-36(2)16-27-44)51-47-11-7-8-12-48(47)52(54(45-28-17-37(3)18-29-45)46-30-19-38(4)20-31-46)50-34-42(23-32-49(50)51)41-22-21-39-9-5-6-10-40(39)33-41;1-3-19-37(20-4-1)47(39-29-27-33-15-7-9-17-35(33)31-39)45-41-23-11-13-25-43(41)46(44-26-14-12-24-42(44)45)48(38-21-5-2-6-22-38)40-30-28-34-16-8-10-18-36(34)32-40;1-29-37-25-23-36(42(33-19-11-5-12-20-33)34-21-13-6-14-22-34)28-40(37)30(2)38-26-24-35(27-39(29)38)41(31-15-7-3-8-16-31)32-17-9-4-10-18-32/h1-42H;3-36H,1-2H3;3-35H,1-2H3;1-36H;5-34H,1-4H3;1-32H;3-28H,1-2H3.

Question 4

What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,9,10-triphenylanthracen-2-amine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N-diphenylanthracene-9,10-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N,2-triphenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N,2-pentanaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-naphthalen-2-ylanthracene-9,10-diamine?

Accepted Answer

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,9,10-triphenylanthracen-2-amine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N-diphenylanthracene-9,10-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N,2-triphenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N,2-pentanaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-naphthalen-2-ylanthracene-9,10-diamine has a molecular weight of 4807.19 g/mol, XLogP of 103.98, 45 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Question 5

Where does this data come from?

Accepted Answer

All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,9,10-triphenylanthracen-2-amine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N-diphenylanthracene-9,10-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N,2-triphenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N,2-pentanaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-naphthalen-2-ylanthracene-9,10-diamine is sourced from PubChem (CID 158705725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Compound Name	N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,9,10-triphenylanthracen-2-amine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N-diphenylanthracene-9,10-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N,2-triphenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N,2-pentanaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-naphthalen-2-ylanthracene-9,10-diamine
PubChem CID	158705725
Molecular Formula	C363H263N13
Molecular Weight	4807.19 g/mol
Exact Mass	4803.10
IUPAC Name	N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,9,10-triphenylanthracen-2-amine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N-diphenylanthracene-9,10-diamine;9-N,10-N-dinaphthalen-2-yl-9-N,10-N,2-triphenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N,2-pentanaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-naphthalen-2-ylanthracene-9,10-diamine
SMILES	CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc3)cc21.Cc1c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2c(C)c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc12.Cc1c2ccc(N(c3ccccc3)c3ccccc3)cc2c(C)c2ccc(N(c3ccccc3)c3ccccc3)cc12.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3cc(-c4ccc5ccccc5c4)ccc23)cc1.c1ccc(-c2ccc3c(N(c4ccccc4)c4ccc5ccccc5c4)c4ccccc4c(N(c4ccccc4)c4ccc5ccccc5c4)c3c2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2c3ccccc3c(N(c3ccccc3)c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc2cc(-c3ccc4c(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)c5ccccc5c(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)c4c3)ccc2c1
InChI	InChI=1S/C64H42N2.C56H40N2.C53H39N.C52H36N2.C52H42N2.C46H32N2.C40H32N2/c1-6-18-48-37-53(26-25-43(48)13-1)54-31-36-61-62(42-54)64(66(57-34-29-46-16-4-9-21-51(46)40-57)58-35-30-47-17-5-10-22-52(47)41-58)60-24-12-11-23-59(60)63(61)65(55-32-27-44-14-2-7-19-49(44)38-55)56-33-28-45-15-3-8-20-50(45)39-56;1-37-45-33-31-44(58(55-29-13-21-41-17-5-9-25-49(41)55)56-30-14-22-42-18-6-10-26-50(42)56)36-52(45)38(2)46-34-32-43(35-51(37)46)57(53-27-11-19-39-15-3-7-23-47(39)53)54-28-12-20-40-16-4-8-24-48(40)54;1-53(2)49-25-15-14-22-43(49)44-32-28-39(34-50(44)53)36-26-29-41(30-27-36)54(40-20-10-5-11-21-40)42-31-33-47-48(35-42)52(38-18-8-4-9-19-38)46-24-13-12-23-45(46)51(47)37-16-6-3-7-17-37;1-4-16-37(17-5-1)42-30-33-49-50(36-42)52(54(44-24-8-3-9-25-44)46-32-29-39-19-11-13-21-41(39)35-46)48-27-15-14-26-47(48)51(49)53(43-22-6-2-7-23-43)45-31-28-38-18-10-12-20-40(38)34-45;1-35-13-24-43(25-14-35)53(44-26-15-36(2)16-27-44)51-47-11-7-8-12-48(47)52(54(45-28-17-37(3)18-29-45)46-30-19-38(4)20-31-46)50-34-42(23-32-49(50)51)41-22-21-39-9-5-6-10-40(39)33-41;1-3-19-37(20-4-1)47(39-29-27-33-15-7-9-17-35(33)31-39)45-41-23-11-13-25-43(41)46(44-26-14-12-24-42(44)45)48(38-21-5-2-6-22-38)40-30-28-34-16-8-10-18-36(34)32-40;1-29-37-25-23-36(42(33-19-11-5-12-20-33)34-21-13-6-14-22-34)28-40(37)30(2)38-26-24-35(27-39(29)38)41(31-15-7-3-8-16-31)32-17-9-4-10-18-32/h1-42H;3-36H,1-2H3;3-35H,1-2H3;1-36H;5-34H,1-4H3;1-32H;3-28H,1-2H3
InChIKey	IIBWOGKPXLVUCD-UHFFFAOYSA-N
XLogP	103.98
TPSA	42.12 Å²
H-Bond Donors
H-Bond Acceptors	13
Rotatable Bonds	45
Heavy Atoms	376
Complexity	—

Rule	Value
MW ≤ 500	4807.19
LogP ≤ 5	103.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Molecular Properties

Lipinski Rule of Five

Related Compounds

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