1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

C137H88Br3Cl2N13 — CID 159327927

IUPAC1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)c2ccccc12.Brc1ccc(-c2ccc(Br)c3ccccc23)c2ccccc12.Clc1nc(-c2ccccc2)cc(-c2ccccc2)n1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/C51H33N5.C35H22BrN3.C20H12Br2.C16H11ClN2.C15H10ClN3/c1-5-17-34(18-6-1)46-33-47(35-19-7-2-8-20-35)53-50(52-46)44-31-29-42(38-25-13-15-27-40(38)44)43-30-32-45(41-28-16-14-26-39(41)43)51-55-48(36-21-9-3-10-22-36)54-49(56-51)37-23-11-4-12-24-37;36-32-22-21-29(26-16-9-10-18-30(26)32)28-19-20-31(27-17-8-7-15-25(27)28)35-38-33(23-11-3-1-4-12-23)37-34(39-35)24-13-5-2-6-14-24;21-19-11-9-15(13-5-1-3-7-17(13)19)16-10-12-20(22)18-8-4-2-6-14(16)18;17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-33H;1-22H;1-12H;1-11H;1-10H
InChIKeyLEPJNBPNLMOUDN-UHFFFAOYSA-N
MW2226.92 g/mol
LogP37.75
Rot. Bonds16

About 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159327927) has the molecular formula C137H88Br3Cl2N13 and a molecular weight of 2226.92 g/mol. Its IUPAC name is 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID159327927
Molecular FormulaC137H88Br3Cl2N13
Molecular Weight2226.92 g/mol
Exact Mass2221.42
IUPAC Name1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)c2ccccc12.Brc1ccc(-c2ccc(Br)c3ccccc23)c2ccccc12.Clc1nc(-c2ccccc2)cc(-c2ccccc2)n1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/C51H33N5.C35H22BrN3.C20H12Br2.C16H11ClN2.C15H10ClN3/c1-5-17-34(18-6-1)46-33-47(35-19-7-2-8-20-35)53-50(52-46)44-31-29-42(38-25-13-15-27-40(38)44)43-30-32-45(41-28-16-14-26-39(41)43)51-55-48(36-21-9-3-10-22-36)54-49(56-51)37-23-11-4-12-24-37;36-32-22-21-29(26-16-9-10-18-30(26)32)28-19-20-31(27-17-8-7-15-25(27)28)35-38-33(23-11-3-1-4-12-23)37-34(39-35)24-13-5-2-6-14-24;21-19-11-9-15(13-5-1-3-7-17(13)19)16-10-12-20(22)18-8-4-2-6-14(16)18;17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-33H;1-22H;1-12H;1-11H;1-10H
InChIKeyLEPJNBPNLMOUDN-UHFFFAOYSA-N
XLogP37.75
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.92
LogP ≤ 537.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 146481095
2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine
CID 129258763
2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 168801574
4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 166031234
2-(4-bromonaphthalen-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 165029034
2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171439560
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 126681837
2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 123546565
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;4-[3,5-bis(3,4-diphenylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158308995
2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 129101507

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 159327927) is 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is Brc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)c2ccccc12.Brc1ccc(-c2ccc(Br)c3ccccc23)c2ccccc12.Clc1nc(-c2ccccc2)cc(-c2ccccc2)n1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)c4ccccc34)n2)cc1.
What is the InChIKey of 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is LEPJNBPNLMOUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5.C35H22BrN3.C20H12Br2.C16H11ClN2.C15H10ClN3/c1-5-17-34(18-6-1)46-33-47(35-19-7-2-8-20-35)53-50(52-46)44-31-29-42(38-25-13-15-27-40(38)44)43-30-32-45(41-28-16-14-26-39(41)43)51-55-48(36-21-9-3-10-22-36)54-49(56-51)37-23-11-4-12-24-37;36-32-22-21-29(26-16-9-10-18-30(26)32)28-19-20-31(27-17-8-7-15-25(27)28)35-38-33(23-11-3-1-4-12-23)37-34(39-35)24-13-5-2-6-14-24;21-19-11-9-15(13-5-1-3-7-17(13)19)16-10-12-20(22)18-8-4-2-6-14(16)18;17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-33H;1-22H;1-12H;1-11H;1-10H.
What are the key properties of 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2226.92 g/mol, XLogP of 37.75, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 159327927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).