1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene

C192H135N9O2 — CID 159385906

IUPAC1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)ccc6ccc3c4c65)cccc12.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C60H48N2O2.C52H34N4.C40H27N3.C40H26/c1-59(2,3)47-25-13-21-41-43-23-15-27-51(57(43)63-55(41)47)61(39-17-9-7-10-18-39)49-35-31-37-30-34-46-50(36-32-38-29-33-45(49)53(37)54(38)46)62(40-19-11-8-12-20-40)52-28-16-24-44-42-22-14-26-48(60(4,5)6)56(42)64-58(44)52;1-3-16-35(17-4-1)37-20-15-21-38(30-37)46-34-47(54-52(53-46)36-18-5-2-6-19-36)39-31-40(55-48-26-11-7-22-42(48)43-23-8-12-27-49(43)55)33-41(32-39)56-50-28-13-9-24-44(50)45-25-10-14-29-51(45)56;1-3-11-30(12-4-1)36-27-37(42-40(41-36)32-13-5-2-6-14-32)31-21-19-28(20-22-31)29-23-25-33(26-24-29)43-38-17-9-7-15-34(38)35-16-8-10-18-39(35)43;1-2-13-29-25-31(24-23-27(29)11-1)30-15-9-16-32(26-30)39-35-18-5-7-20-37(35)40(38-21-8-6-19-36(38)39)34-22-10-14-28-12-3-4-17-33(28)34/h7-36H,1-6H3;1-34H;1-27H;1-26H
InChIKeyLLMJJWIADUKDFK-UHFFFAOYSA-N
MW2600.25 g/mol
LogP52.80
Rot. Bonds20

About 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene

1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene (PubChem CID 159385906) has the molecular formula C192H135N9O2 and a molecular weight of 2600.25 g/mol. Its IUPAC name is 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
PubChem CID159385906
Molecular FormulaC192H135N9O2
Molecular Weight2600.25 g/mol
Exact Mass2598.07
IUPAC Name1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)ccc6ccc3c4c65)cccc12.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C60H48N2O2.C52H34N4.C40H27N3.C40H26/c1-59(2,3)47-25-13-21-41-43-23-15-27-51(57(43)63-55(41)47)61(39-17-9-7-10-18-39)49-35-31-37-30-34-46-50(36-32-38-29-33-45(49)53(37)54(38)46)62(40-19-11-8-12-20-40)52-28-16-24-44-42-22-14-26-48(60(4,5)6)56(42)64-58(44)52;1-3-16-35(17-4-1)37-20-15-21-38(30-37)46-34-47(54-52(53-46)36-18-5-2-6-19-36)39-31-40(55-48-26-11-7-22-42(48)43-23-8-12-27-49(43)55)33-41(32-39)56-50-28-13-9-24-44(50)45-25-10-14-29-51(45)56;1-3-11-30(12-4-1)36-27-37(42-40(41-36)32-13-5-2-6-14-32)31-21-19-28(20-22-31)29-23-25-33(26-24-29)43-38-17-9-7-15-34(38)35-16-8-10-18-39(35)43;1-2-13-29-25-31(24-23-27(29)11-1)30-15-9-16-32(26-30)39-35-18-5-7-20-37(35)40(38-21-8-6-19-36(38)39)34-22-10-14-28-12-3-4-17-33(28)34/h7-36H,1-6H3;1-34H;1-27H;1-26H
InChIKeyLLMJJWIADUKDFK-UHFFFAOYSA-N
XLogP52.80
TPSA99.11 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002600.25
LogP ≤ 552.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene with MolForge

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Related Compounds

1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 159726576
9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 159819873
9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 159286250
9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole
CID 58527038
CID 159802949
CID 159802949
N-[4-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;3-N-naphthalen-1-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-phenyl-5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline;1-N,1-N,3-N,3-N-tetraphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 163923902
9-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole;9-[4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 158118562
4-(4-dibenzofuran-4-ylphenyl)-2,6-diphenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-[6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 158954021
9-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-5-phenylphenyl]-3-carbazol-9-ylcarbazole;3-carbazol-9-yl-9-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]carbazole;3-carbazol-9-yl-9-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)-5-phenylphenyl]carbazole;3-carbazol-9-yl-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159279604
3-[9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 159401560
3-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 139366763
9-[4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole
CID 157066444

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene (CID 159385906) is 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene is CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)ccc6ccc3c4c65)cccc12.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene?
The InChIKey is LLMJJWIADUKDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2O2.C52H34N4.C40H27N3.C40H26/c1-59(2,3)47-25-13-21-41-43-23-15-27-51(57(43)63-55(41)47)61(39-17-9-7-10-18-39)49-35-31-37-30-34-46-50(36-32-38-29-33-45(49)53(37)54(38)46)62(40-19-11-8-12-20-40)52-28-16-24-44-42-22-14-26-48(60(4,5)6)56(42)64-58(44)52;1-3-16-35(17-4-1)37-20-15-21-38(30-37)46-34-47(54-52(53-46)36-18-5-2-6-19-36)39-31-40(55-48-26-11-7-22-42(48)43-23-8-12-27-49(43)55)33-41(32-39)56-50-28-13-9-24-44(50)45-25-10-14-29-51(45)56;1-3-11-30(12-4-1)36-27-37(42-40(41-36)32-13-5-2-6-14-32)31-21-19-28(20-22-31)29-23-25-33(26-24-29)43-38-17-9-7-15-34(38)35-16-8-10-18-39(35)43;1-2-13-29-25-31(24-23-27(29)11-1)30-15-9-16-32(26-30)39-35-18-5-7-20-37(35)40(38-21-8-6-19-36(38)39)34-22-10-14-28-12-3-4-17-33(28)34/h7-36H,1-6H3;1-34H;1-27H;1-26H.
What are the key properties of 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene?
1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene has a molecular weight of 2600.25 g/mol, XLogP of 52.80, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 159385906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).