N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline)

C134H152B2Br2N6O4 — CID 160957148

IUPACN,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline)
SMILESCCC(C)c1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.CCCC1(CCN(C)C)c2cc(B3OCCO3)ccc2-c2ccc(B3OCCO3)cc21.CCCC1(CCN(C)C)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C(C)CC)cc4)cc3)cc21.CCCC1(CCN(C)C)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C(C)CC)cc4)cc3)cc21
InChIInChI=1S/2C44H50N2.C24H31B2NO4.C22H21Br2N/c2*1-8-26-44(27-28-45(6)7)42-29-32(4)12-24-40(42)41-25-17-36(30-43(41)44)35-15-22-39(23-16-35)46(37-18-10-31(3)11-19-37)38-20-13-34(14-21-38)33(5)9-2;1-4-9-24(10-11-27(2)3)22-16-18(25-28-12-13-29-25)5-7-20(22)21-8-6-19(17-23(21)24)26-30-14-15-31-26;1-3-16(2)17-4-10-20(11-5-17)25(21-12-6-18(23)7-13-21)22-14-8-19(24)9-15-22/h2*10-25,29-30,33H,8-9,26-28H2,1-7H3;5-8,16-17H,4,9-15H2,1-3H3;4-16H,3H2,1-2H3
InChIKeySWNQLXGXRDOORN-UHFFFAOYSA-N
MW2092.16 g/mol
LogP34.33
Rot. Bonds34

About N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline)

N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline) (PubChem CID 160957148) has the molecular formula C134H152B2Br2N6O4 and a molecular weight of 2092.16 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline).

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline)
PubChem CID160957148
Molecular FormulaC134H152B2Br2N6O4
Molecular Weight2092.16 g/mol
Exact Mass2089.04
IUPAC NameN,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline)
SMILESCCC(C)c1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.CCCC1(CCN(C)C)c2cc(B3OCCO3)ccc2-c2ccc(B3OCCO3)cc21.CCCC1(CCN(C)C)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C(C)CC)cc4)cc3)cc21.CCCC1(CCN(C)C)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C(C)CC)cc4)cc3)cc21
InChIInChI=1S/2C44H50N2.C24H31B2NO4.C22H21Br2N/c2*1-8-26-44(27-28-45(6)7)42-29-32(4)12-24-40(42)41-25-17-36(30-43(41)44)35-15-22-39(23-16-35)46(37-18-10-31(3)11-19-37)38-20-13-34(14-21-38)33(5)9-2;1-4-9-24(10-11-27(2)3)22-16-18(25-28-12-13-29-25)5-7-20(22)21-8-6-19(17-23(21)24)26-30-14-15-31-26;1-3-16(2)17-4-10-20(11-5-17)25(21-12-6-18(23)7-13-21)22-14-8-19(24)9-15-22/h2*10-25,29-30,33H,8-9,26-28H2,1-7H3;5-8,16-17H,4,9-15H2,1-3H3;4-16H,3H2,1-2H3
InChIKeySWNQLXGXRDOORN-UHFFFAOYSA-N
XLogP34.33
TPSA56.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds34
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002092.16
LogP ≤ 534.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline) with MolForge

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Related Compounds

N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;bromobenzene;N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;phenylboronic acid
CID 161208759
N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane
CID 161045286
N-(4-butan-2-ylphenyl)-N-[4-[4-(2,4-dimethylphenyl)-3-methylphenyl]phenyl]-4-methylaniline
CID 58720503
N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene
CID 159894360
4-bromo-N,N-diphenylaniline;4-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-N,N-diphenylaniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 160683905
N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 158073816
[3-[7-[4-(N-(4-butan-2-ylphenyl)-4-methylanilino)phenyl]-9,9-dioctylfluoren-2-yl]-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-(1H-pyrrol-2-yl)methanone
CID 59302115
N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine
CID 58251074
N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[4-[12,12-dioctyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indeno[1,2-b]fluoren-6-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6,6,12,12-tetraoctyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]fluoren-8-yl]-1,3,2-dioxaborolane
CID 157150086
7-N-[4-(7-butan-2-yl-9,9-dimethylfluoren-2-yl)phenyl]-2-N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine
CID 129302630
2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 90202241
2-(4-bromophenyl)-7-(4-methylphenyl)-9,9-dioctylfluorene
CID 71124155

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline)?
The IUPAC name of N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline) (CID 160957148) is N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline).
What is the SMILES notation for N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline)?
The canonical SMILES for N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline) is CCC(C)c1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.CCCC1(CCN(C)C)c2cc(B3OCCO3)ccc2-c2ccc(B3OCCO3)cc21.CCCC1(CCN(C)C)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C(C)CC)cc4)cc3)cc21.CCCC1(CCN(C)C)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C(C)CC)cc4)cc3)cc21.
What is the InChIKey of N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline)?
The InChIKey is SWNQLXGXRDOORN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H50N2.C24H31B2NO4.C22H21Br2N/c2*1-8-26-44(27-28-45(6)7)42-29-32(4)12-24-40(42)41-25-17-36(30-43(41)44)35-15-22-39(23-16-35)46(37-18-10-31(3)11-19-37)38-20-13-34(14-21-38)33(5)9-2;1-4-9-24(10-11-27(2)3)22-16-18(25-28-12-13-29-25)5-7-20(22)21-8-6-19(17-23(21)24)26-30-14-15-31-26;1-3-16(2)17-4-10-20(11-5-17)25(21-12-6-18(23)7-13-21)22-14-8-19(24)9-15-22/h2*10-25,29-30,33H,8-9,26-28H2,1-7H3;5-8,16-17H,4,9-15H2,1-3H3;4-16H,3H2,1-2H3.
What are the key properties of N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline)?
N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline) has a molecular weight of 2092.16 g/mol, XLogP of 34.33, 34 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[2,7-bis(1,3,2-dioxaborolan-2-yl)-9-propylfluoren-9-yl]-N,N-dimethylethanamine;bis(N-(4-butan-2-ylphenyl)-N-[4-[9-[2-(dimethylamino)ethyl]-7-methyl-9-propylfluoren-2-yl]phenyl]-4-methylaniline) is sourced from PubChem (CID 160957148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).