12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole

C136H92N16O — CID 157061843

IUPAC12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)cn4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7ccccc67)n5)cn4)c3cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccnc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)n4)n3)cc21
InChIInChI=1S/C46H30N6O.2C45H31N5/c1-46(2)35-17-9-6-14-29(35)30-21-20-28(26-36(30)46)43-49-42(27-12-4-3-5-13-27)50-44(51-43)37-24-25-47-45(48-37)52-38-18-10-7-15-31(38)33-22-23-34-32-16-8-11-19-39(32)53-41(34)40(33)52;1-45(2)37-21-10-8-18-32(37)35-25-36-33-19-9-11-22-39(33)50(40(36)26-38(35)45)41-24-23-30(27-46-41)43-47-42(29-14-4-3-5-15-29)48-44(49-43)34-20-12-16-28-13-6-7-17-31(28)34;1-45(2)37-18-10-8-16-33(37)35-25-36-34-17-9-11-19-39(34)50(40(36)26-38(35)45)41-23-22-32(27-46-41)44-48-42(29-13-4-3-5-14-29)47-43(49-44)31-21-20-28-12-6-7-15-30(28)24-31/h3-26H,1-2H3;2*3-27H,1-2H3
InChIKeyABKNTOZNVBEDGY-UHFFFAOYSA-N
MW1966.34 g/mol
LogP32.61
Rot. Bonds12

About 12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole

12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole (PubChem CID 157061843) has the molecular formula C136H92N16O and a molecular weight of 1966.34 g/mol. Its IUPAC name is 12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole
PubChem CID157061843
Molecular FormulaC136H92N16O
Molecular Weight1966.34 g/mol
Exact Mass1964.76
IUPAC Name12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)cn4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7ccccc67)n5)cn4)c3cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccnc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)n4)n3)cc21
InChIInChI=1S/C46H30N6O.2C45H31N5/c1-46(2)35-17-9-6-14-29(35)30-21-20-28(26-36(30)46)43-49-42(27-12-4-3-5-13-27)50-44(51-43)37-24-25-47-45(48-37)52-38-18-10-7-15-31(38)33-22-23-34-32-16-8-11-19-39(32)53-41(34)40(33)52;1-45(2)37-21-10-8-18-32(37)35-25-36-33-19-9-11-22-39(33)50(40(36)26-38(35)45)41-24-23-30(27-46-41)43-47-42(29-14-4-3-5-15-29)48-44(49-43)34-20-12-16-28-13-6-7-17-31(28)34;1-45(2)37-18-10-8-16-33(37)35-25-36-34-17-9-11-19-39(34)50(40(36)26-38(35)45)41-23-22-32(27-46-41)44-48-42(29-13-4-3-5-14-29)47-43(49-44)31-21-20-28-12-6-7-15-30(28)24-31/h3-26H,1-2H3;2*3-27H,1-2H3
InChIKeyABKNTOZNVBEDGY-UHFFFAOYSA-N
XLogP32.61
TPSA195.50 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001966.34
LogP ≤ 532.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole?
The IUPAC name of 12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole (CID 157061843) is 12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole.
What is the SMILES notation for 12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole?
The canonical SMILES for 12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)cn4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7ccccc67)n5)cn4)c3cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccnc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)n4)n3)cc21.
What is the InChIKey of 12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole?
The InChIKey is ABKNTOZNVBEDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N6O.2C45H31N5/c1-46(2)35-17-9-6-14-29(35)30-21-20-28(26-36(30)46)43-49-42(27-12-4-3-5-13-27)50-44(51-43)37-24-25-47-45(48-37)52-38-18-10-7-15-31(38)33-22-23-34-32-16-8-11-19-39(32)53-41(34)40(33)52;1-45(2)37-21-10-8-18-32(37)35-25-36-33-19-9-11-22-39(33)50(40(36)26-38(35)45)41-24-23-30(27-46-41)43-47-42(29-14-4-3-5-15-29)48-44(49-43)34-20-12-16-28-13-6-7-17-31(28)34;1-45(2)37-18-10-8-16-33(37)35-25-36-34-17-9-11-19-39(34)50(40(36)26-38(35)45)41-23-22-32(27-46-41)44-48-42(29-13-4-3-5-14-29)47-43(49-44)31-21-20-28-12-6-7-15-30(28)24-31/h3-26H,1-2H3;2*3-27H,1-2H3.
What are the key properties of 12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole?
12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole has a molecular weight of 1966.34 g/mol, XLogP of 32.61, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole;7,7-dimethyl-5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole is sourced from PubChem (CID 157061843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).