9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole

C154H102N14 — CID 167632280

IUPAC9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-n4c5ccccc5c5ccccc54)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cnc(-n4c5ccccc5c5ccccc54)cn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H27N3.2C40H27N3.C32H21N5/c1-3-15-28(16-4-1)36-27-37(44-42(43-36)29-17-5-2-6-18-29)40-32-21-7-9-23-34(32)41(35-24-10-8-22-33(35)40)45-38-25-13-11-19-30(38)31-20-12-14-26-39(31)45;1-4-13-29(14-5-1)36-27-37(42-40(41-36)31-15-6-2-7-16-31)30-25-23-28(24-26-30)33-20-12-21-35-34-19-10-11-22-38(34)43(39(33)35)32-17-8-3-9-18-32;1-4-13-29(14-5-1)35-27-36(42-40(41-35)31-15-6-2-7-16-31)30-25-23-28(24-26-30)33-20-12-22-38-39(33)34-19-10-11-21-37(34)43(38)32-17-8-3-9-18-32;1-3-11-22(12-4-1)26-19-27(36-32(35-26)23-13-5-2-6-14-23)28-20-34-31(21-33-28)37-29-17-9-7-15-24(29)25-16-8-10-18-30(25)37/h1-27H;2*1-27H;1-21H
InChIKeyNZBFGFGFIVMFPY-UHFFFAOYSA-N
MW2148.61 g/mol
LogP38.73
Rot. Bonds18

About 9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole

9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole (PubChem CID 167632280) has the molecular formula C154H102N14 and a molecular weight of 2148.61 g/mol. Its IUPAC name is 9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole
PubChem CID167632280
Molecular FormulaC154H102N14
Molecular Weight2148.61 g/mol
Exact Mass2146.84
IUPAC Name9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-n4c5ccccc5c5ccccc54)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cnc(-n4c5ccccc5c5ccccc54)cn3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H27N3.2C40H27N3.C32H21N5/c1-3-15-28(16-4-1)36-27-37(44-42(43-36)29-17-5-2-6-18-29)40-32-21-7-9-23-34(32)41(35-24-10-8-22-33(35)40)45-38-25-13-11-19-30(38)31-20-12-14-26-39(31)45;1-4-13-29(14-5-1)36-27-37(42-40(41-36)31-15-6-2-7-16-31)30-25-23-28(24-26-30)33-20-12-21-35-34-19-10-11-22-38(34)43(39(33)35)32-17-8-3-9-18-32;1-4-13-29(14-5-1)35-27-36(42-40(41-35)31-15-6-2-7-16-31)30-25-23-28(24-26-30)33-20-12-22-38-39(33)34-19-10-11-21-37(34)43(38)32-17-8-3-9-18-32;1-3-11-22(12-4-1)26-19-27(36-32(35-26)23-13-5-2-6-14-23)28-20-34-31(21-33-28)37-29-17-9-7-15-24(29)25-16-8-10-18-30(25)37/h1-27H;2*1-27H;1-21H
InChIKeyNZBFGFGFIVMFPY-UHFFFAOYSA-N
XLogP38.73
TPSA148.62 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002148.61
LogP ≤ 538.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole with MolForge

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Related Compounds

4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 121306271
5-[5-(2,6-diphenyl-4-pyridinyl)pyrazin-2-yl]-12-phenylindolo[3,2-c]carbazole;12-[5-(2,6-diphenyl-4-pyridinyl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole;10-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]-5-phenylindolo[3,2-b]indole
CID 160733058
1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 158026928
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
9-[10-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]anthracen-9-yl]carbazole;9-[10-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]anthracen-9-yl]carbazole;9-[5-[2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]pyrazin-2-yl]carbazole;9-[5-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]pyrazin-2-yl]carbazole
CID 159953710
1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149305
12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496601
1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 118149455
12-phenyl-5-[4-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496953
5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 138653760
8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole
CID 134598091
1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 160899736

Frequently Asked Questions

What is the IUPAC name of 9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole?
The IUPAC name of 9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole (CID 167632280) is 9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole.
What is the SMILES notation for 9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole?
The canonical SMILES for 9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole is c1ccc(-c2cc(-c3c4ccccc4c(-n4c5ccccc5c5ccccc54)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cnc(-n4c5ccccc5c5ccccc54)cn3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole?
The InChIKey is NZBFGFGFIVMFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3.2C40H27N3.C32H21N5/c1-3-15-28(16-4-1)36-27-37(44-42(43-36)29-17-5-2-6-18-29)40-32-21-7-9-23-34(32)41(35-24-10-8-22-33(35)40)45-38-25-13-11-19-30(38)31-20-12-14-26-39(31)45;1-4-13-29(14-5-1)36-27-37(42-40(41-36)31-15-6-2-7-16-31)30-25-23-28(24-26-30)33-20-12-21-35-34-19-10-11-22-38(34)43(39(33)35)32-17-8-3-9-18-32;1-4-13-29(14-5-1)35-27-36(42-40(41-35)31-15-6-2-7-16-31)30-25-23-28(24-26-30)33-20-12-22-38-39(33)34-19-10-11-21-37(34)43(38)32-17-8-3-9-18-32;1-3-11-22(12-4-1)26-19-27(36-32(35-26)23-13-5-2-6-14-23)28-20-34-31(21-33-28)37-29-17-9-7-15-24(29)25-16-8-10-18-30(25)37/h1-27H;2*1-27H;1-21H.
What are the key properties of 9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole?
9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole has a molecular weight of 2148.61 g/mol, XLogP of 38.73, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]carbazole;1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)pyrazin-2-yl]carbazole is sourced from PubChem (CID 167632280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).