9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole

C204H120N22O — CID 158706195

IUPAC9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)ccc1n2-c1ccc2ccccc2n1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)ccc1n2-c1ccc2oc3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)ccc1n2-c1cccc2ccccc12.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)ccc1n2-c1cccnc1
InChIInChI=1S/C54H31N5O.C52H31N5.C51H30N6.C47H28N6/c1-55-42-23-26-49-46(31-42)45-30-39(22-25-48(45)59(49)43-24-27-51-47(32-43)44-12-6-7-13-50(44)60-51)35-14-18-36(19-15-35)52-56-53(40-20-16-33-8-2-4-10-37(33)28-40)58-54(57-52)41-21-17-34-9-3-5-11-38(34)29-41;1-53-43-26-28-49-46(32-43)45-31-40(25-27-48(45)57(49)47-16-8-14-36-11-6-7-15-44(36)47)35-17-21-37(22-18-35)50-54-51(41-23-19-33-9-2-4-12-38(33)29-41)56-52(55-50)42-24-20-34-10-3-5-13-39(34)30-42;1-52-42-24-26-47-44(31-42)43-30-39(22-25-46(43)57(47)48-27-23-35-10-6-7-13-45(35)53-48)34-14-18-36(19-15-34)49-54-50(40-20-16-32-8-2-4-11-37(32)28-40)56-51(55-49)41-21-17-33-9-3-5-12-38(33)29-41;1-48-39-21-23-44-42(28-39)41-27-36(20-22-43(41)53(44)40-11-6-24-49-29-40)32-12-16-33(17-13-32)45-50-46(37-18-14-30-7-2-4-9-34(30)25-37)52-47(51-45)38-19-15-31-8-3-5-10-35(31)26-38/h2-32H;2-32H;2-31H;2-29H
InChIKeyIIDJWODKXSNZJR-UHFFFAOYSA-N
MW2895.36 g/mol
LogP52.97
Rot. Bonds20

About 9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole

9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole (PubChem CID 158706195) has the molecular formula C204H120N22O and a molecular weight of 2895.36 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole
PubChem CID158706195
Molecular FormulaC204H120N22O
Molecular Weight2895.36 g/mol
Exact Mass2893.00
IUPAC Name9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)ccc1n2-c1ccc2ccccc2n1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)ccc1n2-c1ccc2oc3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)ccc1n2-c1cccc2ccccc12.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)ccc1n2-c1cccnc1
InChIInChI=1S/C54H31N5O.C52H31N5.C51H30N6.C47H28N6/c1-55-42-23-26-49-46(31-42)45-30-39(22-25-48(45)59(49)43-24-27-51-47(32-43)44-12-6-7-13-50(44)60-51)35-14-18-36(19-15-35)52-56-53(40-20-16-33-8-2-4-10-37(33)28-40)58-54(57-52)41-21-17-34-9-3-5-11-38(34)29-41;1-53-43-26-28-49-46(32-43)45-31-40(25-27-48(45)57(49)47-16-8-14-36-11-6-7-15-44(36)47)35-17-21-37(22-18-35)50-54-51(41-23-19-33-9-2-4-12-38(33)29-41)56-52(55-50)42-24-20-34-10-3-5-13-39(34)30-42;1-52-42-24-26-47-44(31-42)43-30-39(22-25-46(43)57(47)48-27-23-35-10-6-7-13-45(35)53-48)34-14-18-36(19-15-34)49-54-50(40-20-16-32-8-2-4-11-37(32)28-40)56-51(55-49)41-21-17-33-9-3-5-12-38(33)29-41;1-48-39-21-23-44-42(28-39)41-27-36(20-22-43(41)53(44)40-11-6-24-49-29-40)32-12-16-33(17-13-32)45-50-46(37-18-14-30-7-2-4-9-34(30)25-37)52-47(51-45)38-19-15-31-8-3-5-10-35(31)26-38/h2-32H;2-32H;2-31H;2-29H
InChIKeyIIDJWODKXSNZJR-UHFFFAOYSA-N
XLogP52.97
TPSA230.76 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002895.36
LogP ≤ 552.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole with MolForge

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Related Compounds

3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-isocyano-9-quinolin-2-ylcarbazole
CID 123192697
3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-2-ylcarbazole
CID 123531469
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305806
3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole
CID 177074748
3-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-6-isocyano-9-quinolin-2-ylcarbazole
CID 123833312
3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 162264966
3-(10-anthracen-9-ylanthracen-9-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole
CID 123833694
11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 164843565
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 160623255
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 90211475
8-[3-(6-dibenzofuran-2-yl-2-pyridinyl)carbazol-9-yl]-5-pyridin-3-yl-2-[3-(2-pyridin-3-ylphenyl)carbazol-9-yl]pyrido[3,2-b]indole
CID 58501596
2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-1-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-2-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161318809

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole?
The IUPAC name of 9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole (CID 158706195) is 9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole.
What is the SMILES notation for 9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole?
The canonical SMILES for 9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole is [C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)ccc1n2-c1ccc2ccccc2n1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)ccc1n2-c1ccc2oc3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)ccc1n2-c1cccc2ccccc12.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)ccc1n2-c1cccnc1.
What is the InChIKey of 9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole?
The InChIKey is IIDJWODKXSNZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31N5O.C52H31N5.C51H30N6.C47H28N6/c1-55-42-23-26-49-46(31-42)45-30-39(22-25-48(45)59(49)43-24-27-51-47(32-43)44-12-6-7-13-50(44)60-51)35-14-18-36(19-15-35)52-56-53(40-20-16-33-8-2-4-10-37(33)28-40)58-54(57-52)41-21-17-34-9-3-5-11-38(34)29-41;1-53-43-26-28-49-46(32-43)45-31-40(25-27-48(45)57(49)47-16-8-14-36-11-6-7-15-44(36)47)35-17-21-37(22-18-35)50-54-51(41-23-19-33-9-2-4-12-38(33)29-41)56-52(55-50)42-24-20-34-10-3-5-13-39(34)30-42;1-52-42-24-26-47-44(31-42)43-30-39(22-25-46(43)57(47)48-27-23-35-10-6-7-13-45(35)53-48)34-14-18-36(19-15-34)49-54-50(40-20-16-32-8-2-4-11-37(32)28-40)56-51(55-49)41-21-17-33-9-3-5-12-38(33)29-41;1-48-39-21-23-44-42(28-39)41-27-36(20-22-43(41)53(44)40-11-6-24-49-29-40)32-12-16-33(17-13-32)45-50-46(37-18-14-30-7-2-4-9-34(30)25-37)52-47(51-45)38-19-15-31-8-3-5-10-35(31)26-38/h2-32H;2-32H;2-31H;2-29H.
What are the key properties of 9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole?
9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole has a molecular weight of 2895.36 g/mol, XLogP of 52.97, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyanocarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-naphthalen-1-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-pyridin-3-ylcarbazole;3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-isocyano-9-quinolin-2-ylcarbazole is sourced from PubChem (CID 158706195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).