N,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine

C102H88B2Br2N4O4 — CID 157162323

IUPACN,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc21.CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc21
InChIInChI=1S/C57H56B2N2O4.C45H32Br2N2/c1-53(2)49-35-38(37-21-33-52-48(34-37)47-18-14-15-19-51(47)61(52)41-16-12-11-13-17-41)20-31-45(49)46-32-30-44(36-50(46)53)60(42-26-22-39(23-27-42)58-62-54(3,4)55(5,6)63-58)43-28-24-40(25-29-43)59-64-56(7,8)57(9,10)65-59;1-45(2)41-27-30(29-13-25-44-40(26-29)39-10-6-7-11-43(39)49(44)33-8-4-3-5-9-33)12-23-37(41)38-24-22-36(28-42(38)45)48(34-18-14-31(46)15-19-34)35-20-16-32(47)17-21-35/h11-36H,1-10H3;3-28H,1-2H3
InChIKeyAMNCZQWUWZPFDJ-UHFFFAOYSA-N
MW1615.28 g/mol
LogP26.58
Rot. Bonds12

About N,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine

N,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine (PubChem CID 157162323) has the molecular formula C102H88B2Br2N4O4 and a molecular weight of 1615.28 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine
PubChem CID157162323
Molecular FormulaC102H88B2Br2N4O4
Molecular Weight1615.28 g/mol
Exact Mass1612.54
IUPAC NameN,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc21.CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc21
InChIInChI=1S/C57H56B2N2O4.C45H32Br2N2/c1-53(2)49-35-38(37-21-33-52-48(34-37)47-18-14-15-19-51(47)61(52)41-16-12-11-13-17-41)20-31-45(49)46-32-30-44(36-50(46)53)60(42-26-22-39(23-27-42)58-62-54(3,4)55(5,6)63-58)43-28-24-40(25-29-43)59-64-56(7,8)57(9,10)65-59;1-45(2)41-27-30(29-13-25-44-40(26-29)39-10-6-7-11-43(39)49(44)33-8-4-3-5-9-33)12-23-37(41)38-24-22-36(28-42(38)45)48(34-18-14-31(46)15-19-34)35-20-16-32(47)17-21-35/h11-36H,1-10H3;3-28H,1-2H3
InChIKeyAMNCZQWUWZPFDJ-UHFFFAOYSA-N
XLogP26.58
TPSA53.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001615.28
LogP ≤ 526.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline
CID 163599667
9-(9,9-dimethylfluoren-2-yl)-3-N,6-N-bis(4-fluorophenyl)-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine
CID 164737686
9-[4-[9,9-Dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole
CID 11850135
9-[4-(4-Carbazol-9-ylphenyl)phenyl]-3-[3-[2,7-dibromo-9-[3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]propyl]fluoren-9-yl]propyl]carbazole
CID 57782469
2-Bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059200
2,9-Dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059241
7,7-dimethyl-5-phenyl-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indeno[2,1-b]carbazol-9-amine
CID 58113342
N-[4-[4-[4-(6,9-diphenylcarbazol-3-yl)-N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 58113384
N,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
CID 58113386
4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)phenyl]aniline
CID 58131684
N,N-bis[4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)phenyl]-4-(1,2,3-triphenyl-9H-indeno[1,2-f]indol-7-yl)aniline
CID 58131725
3,6-Bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 58151172

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine?
The IUPAC name of N,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine (CID 157162323) is N,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc21.CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc21.
What is the InChIKey of N,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine?
The InChIKey is AMNCZQWUWZPFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H56B2N2O4.C45H32Br2N2/c1-53(2)49-35-38(37-21-33-52-48(34-37)47-18-14-15-19-51(47)61(52)41-16-12-11-13-17-41)20-31-45(49)46-32-30-44(36-50(46)53)60(42-26-22-39(23-27-42)58-62-54(3,4)55(5,6)63-58)43-28-24-40(25-29-43)59-64-56(7,8)57(9,10)65-59;1-45(2)41-27-30(29-13-25-44-40(26-29)39-10-6-7-11-43(39)49(44)33-8-4-3-5-9-33)12-23-37(41)38-24-22-36(28-42(38)45)48(34-18-14-31(46)15-19-34)35-20-16-32(47)17-21-35/h11-36H,1-10H3;3-28H,1-2H3.
What are the key properties of N,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine?
N,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine has a molecular weight of 1615.28 g/mol, XLogP of 26.58, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 157162323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).