1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine

C119H93BBr2N6O2 — CID 159503680

IUPAC1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
SMILESBrc1cccc2c(Br)cccc12.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6c(-c7ccc(-c8nc(-c9ccccc9)cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)n8)cc7)cccc56)cc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)n3)cc21
InChIInChI=1S/C72H52N4.C37H35BN2O2.C10H6Br2/c1-71(2)61-27-13-11-21-57(61)59-39-37-51(41-63(59)71)67-43-65(47-17-7-5-8-18-47)73-69(75-67)49-33-29-45(30-34-49)53-23-15-26-56-54(24-16-25-55(53)56)46-31-35-50(36-32-46)70-74-66(48-19-9-6-10-20-48)44-68(76-70)52-38-40-60-58-22-12-14-28-62(58)72(3,4)64(60)42-52;1-35(2)30-15-11-10-14-28(30)29-21-18-26(22-31(29)35)33-23-32(24-12-8-7-9-13-24)39-34(40-33)25-16-19-27(20-17-25)38-41-36(3,4)37(5,6)42-38;11-9-5-1-3-7-8(9)4-2-6-10(7)12/h5-44H,1-4H3;7-23H,1-6H3;1-6H
InChIKeyLZSBSSMWTROPSC-UHFFFAOYSA-N
MW1809.71 g/mol
LogP30.82
Rot. Bonds12

About 1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine

1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine (PubChem CID 159503680) has the molecular formula C119H93BBr2N6O2 and a molecular weight of 1809.71 g/mol. Its IUPAC name is 1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
PubChem CID159503680
Molecular FormulaC119H93BBr2N6O2
Molecular Weight1809.71 g/mol
Exact Mass1806.58
IUPAC Name1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
SMILESBrc1cccc2c(Br)cccc12.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6c(-c7ccc(-c8nc(-c9ccccc9)cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)n8)cc7)cccc56)cc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)n3)cc21
InChIInChI=1S/C72H52N4.C37H35BN2O2.C10H6Br2/c1-71(2)61-27-13-11-21-57(61)59-39-37-51(41-63(59)71)67-43-65(47-17-7-5-8-18-47)73-69(75-67)49-33-29-45(30-34-49)53-23-15-26-56-54(24-16-25-55(53)56)46-31-35-50(36-32-46)70-74-66(48-19-9-6-10-20-48)44-68(76-70)52-38-40-60-58-22-12-14-28-62(58)72(3,4)64(60)42-52;1-35(2)30-15-11-10-14-28(30)29-21-18-26(22-31(29)35)33-23-32(24-12-8-7-9-13-24)39-34(40-33)25-16-19-27(20-17-25)38-41-36(3,4)37(5,6)42-38;11-9-5-1-3-7-8(9)4-2-6-10(7)12/h5-44H,1-4H3;7-23H,1-6H3;1-6H
InChIKeyLZSBSSMWTROPSC-UHFFFAOYSA-N
XLogP30.82
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001809.71
LogP ≤ 530.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine with MolForge

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Related Compounds

4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 59188592
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-6-(3,4-diphenylphenyl)-2-phenylpyrimidine
CID 168779151
4-phenyl-6-(3-phenylphenyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 140797020
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(3,4-diphenylphenyl)-2-phenylpyrimidine
CID 168778323
4-[4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168776847
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778832
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyridine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyridine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 158944197
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779288
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168778898
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777678

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?
The IUPAC name of 1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine (CID 159503680) is 1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine.
What is the SMILES notation for 1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?
The canonical SMILES for 1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine is Brc1cccc2c(Br)cccc12.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6c(-c7ccc(-c8nc(-c9ccccc9)cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)n8)cc7)cccc56)cc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)n3)cc21.
What is the InChIKey of 1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?
The InChIKey is LZSBSSMWTROPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52N4.C37H35BN2O2.C10H6Br2/c1-71(2)61-27-13-11-21-57(61)59-39-37-51(41-63(59)71)67-43-65(47-17-7-5-8-18-47)73-69(75-67)49-33-29-45(30-34-49)53-23-15-26-56-54(24-16-25-55(53)56)46-31-35-50(36-32-46)70-74-66(48-19-9-6-10-20-48)44-68(76-70)52-38-40-60-58-22-12-14-28-62(58)72(3,4)64(60)42-52;1-35(2)30-15-11-10-14-28(30)29-21-18-26(22-31(29)35)33-23-32(24-12-8-7-9-13-24)39-34(40-33)25-16-19-27(20-17-25)38-41-36(3,4)37(5,6)42-38;11-9-5-1-3-7-8(9)4-2-6-10(7)12/h5-44H,1-4H3;7-23H,1-6H3;1-6H.
What are the key properties of 1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine?
1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine has a molecular weight of 1809.71 g/mol, XLogP of 30.82, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromonaphthalene;4-(9,9-dimethylfluoren-2-yl)-2-[4-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 159503680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).