5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole

C154H99N9 — CID 158426400

IUPAC5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(-n6c7ccccc7c7cc8ccccc8cc76)cccc5c4)n3)cc21.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)nc(-c3ccc4c(-n5c6ccccc6c6cc7ccccc7cc65)cccc4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc4c3)n2)cc1
InChIInChI=1S/C61H37N3.C51H35N3.C42H27N3/c1-2-15-38(16-3-1)55-37-56(42-29-32-48-47-22-8-12-26-53(47)61(54(48)35-42)51-24-10-6-20-45(51)46-21-7-11-25-52(46)61)63-60(62-55)43-30-31-44-41(33-43)19-14-28-57(44)64-58-27-13-9-23-49(58)50-34-39-17-4-5-18-40(39)36-59(50)64;1-51(2)43-20-10-8-18-39(43)40-26-23-36(29-44(40)51)46-31-45(32-13-4-3-5-14-32)52-50(53-46)37-24-25-38-35(27-37)17-12-22-47(38)54-48-21-11-9-19-41(48)42-28-33-15-6-7-16-34(33)30-49(42)54;1-3-11-28(12-4-1)38-27-39(29-13-5-2-6-14-29)44-42(43-38)34-20-19-33-24-35(22-21-32(33)23-34)45-40-18-10-9-17-36(40)37-25-30-15-7-8-16-31(30)26-41(37)45/h1-37H;3-31H,1-2H3;1-27H
InChIKeyHBCHREIPQTVXPM-UHFFFAOYSA-N
MW2075.55 g/mol
LogP39.29
Rot. Bonds12

About 5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole

5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole (PubChem CID 158426400) has the molecular formula C154H99N9 and a molecular weight of 2075.55 g/mol. Its IUPAC name is 5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole
PubChem CID158426400
Molecular FormulaC154H99N9
Molecular Weight2075.55 g/mol
Exact Mass2073.80
IUPAC Name5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(-n6c7ccccc7c7cc8ccccc8cc76)cccc5c4)n3)cc21.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)nc(-c3ccc4c(-n5c6ccccc6c6cc7ccccc7cc65)cccc4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc4c3)n2)cc1
InChIInChI=1S/C61H37N3.C51H35N3.C42H27N3/c1-2-15-38(16-3-1)55-37-56(42-29-32-48-47-22-8-12-26-53(47)61(54(48)35-42)51-24-10-6-20-45(51)46-21-7-11-25-52(46)61)63-60(62-55)43-30-31-44-41(33-43)19-14-28-57(44)64-58-27-13-9-23-49(58)50-34-39-17-4-5-18-40(39)36-59(50)64;1-51(2)43-20-10-8-18-39(43)40-26-23-36(29-44(40)51)46-31-45(32-13-4-3-5-14-32)52-50(53-46)37-24-25-38-35(27-37)17-12-22-47(38)54-48-21-11-9-19-41(48)42-28-33-15-6-7-16-34(33)30-49(42)54;1-3-11-28(12-4-1)38-27-39(29-13-5-2-6-14-29)44-42(43-38)34-20-19-33-24-35(22-21-32(33)23-34)45-40-18-10-9-17-36(40)37-25-30-15-7-8-16-31(30)26-41(37)45/h1-37H;3-31H,1-2H3;1-27H
InChIKeyHBCHREIPQTVXPM-UHFFFAOYSA-N
XLogP39.29
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms163
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002075.55
LogP ≤ 539.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole;5-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 158124931
5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603721
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509
12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[6-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163851259
5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 134603626
7,7-dimethyl-5-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 139567879
9-[3-carbazol-9-yl-5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 158160241
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
5-[7-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[7-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 159513122
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
CID 160512960
5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 134603706

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole (CID 158426400) is 5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(-n6c7ccccc7c7cc8ccccc8cc76)cccc5c4)n3)cc21.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)nc(-c3ccc4c(-n5c6ccccc6c6cc7ccccc7cc65)cccc4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(-n5c6ccccc6c6cc7ccccc7cc65)ccc4c3)n2)cc1.
What is the InChIKey of 5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is HBCHREIPQTVXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N3.C51H35N3.C42H27N3/c1-2-15-38(16-3-1)55-37-56(42-29-32-48-47-22-8-12-26-53(47)61(54(48)35-42)51-24-10-6-20-45(51)46-21-7-11-25-52(46)61)63-60(62-55)43-30-31-44-41(33-43)19-14-28-57(44)64-58-27-13-9-23-49(58)50-34-39-17-4-5-18-40(39)36-59(50)64;1-51(2)43-20-10-8-18-39(43)40-26-23-36(29-44(40)51)46-31-45(32-13-4-3-5-14-32)52-50(53-46)37-24-25-38-35(27-37)17-12-22-47(38)54-48-21-11-9-19-41(48)42-28-33-15-6-7-16-34(33)30-49(42)54;1-3-11-28(12-4-1)38-27-39(29-13-5-2-6-14-29)44-42(43-38)34-20-19-33-24-35(22-21-32(33)23-34)45-40-18-10-9-17-36(40)37-25-30-15-7-8-16-31(30)26-41(37)45/h1-37H;3-31H,1-2H3;1-27H.
What are the key properties of 5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 2075.55 g/mol, XLogP of 39.29, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 158426400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).