3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one

C179H117N15O — CID 158031632

IUPAC3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one
SMILESO=C1c2ccccc2C2(c3ccccc31)c1ccccc1N(c1ccccc1)c1ccccc12.[C-]#[N+]C(C#N)=C1c2ccccc2C2(c3ccccc31)c1ccccc1N(c1ccccc1)c1ccccc12.[C-]#[N+]c1ccc2c(c1)C1(c3cc(C#N)ccc3-2)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc21.c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1
InChIInChI=1S/C57H35N7.C55H40N4.C35H21N3.C32H21NO/c1-2-16-36(17-3-1)55-58-56(63-51-28-14-8-22-43(51)45-34-37(30-32-53(45)63)61-47-24-10-4-18-39(47)40-19-5-11-25-48(40)61)60-57(59-55)64-52-29-15-9-23-44(52)46-35-38(31-33-54(46)64)62-49-26-12-6-20-41(49)42-21-7-13-27-50(42)62;1-35-6-16-41(17-7-35)58(42-18-8-36(2)9-19-42)45-24-28-49-50-29-25-46(59(43-20-10-37(3)11-21-43)44-22-12-38(4)13-23-44)33-54(50)55(53(49)32-45)51-30-39(34-56)14-26-47(51)48-27-15-40(57-5)31-52(48)55;1-37-31(23-36)34-25-15-5-7-17-27(25)35(28-18-8-6-16-26(28)34)29-19-9-11-21-32(29)38(24-13-3-2-4-14-24)33-22-12-10-20-30(33)35;34-31-23-14-4-6-16-25(23)32(26-17-7-5-15-24(26)31)27-18-8-10-20-29(27)33(22-12-2-1-3-13-22)30-21-11-9-19-28(30)32/h1-35H;6-33H,1-4H3;2-22H;1-21H
InChIKeyFHGCOLKMEKHSBF-UHFFFAOYSA-N
MW2494.01 g/mol
LogP44.32
Rot. Bonds13

About 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one

3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one (PubChem CID 158031632) has the molecular formula C179H117N15O and a molecular weight of 2494.01 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one
PubChem CID158031632
Molecular FormulaC179H117N15O
Molecular Weight2494.01 g/mol
Exact Mass2491.96
IUPAC Name3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one
SMILESO=C1c2ccccc2C2(c3ccccc31)c1ccccc1N(c1ccccc1)c1ccccc12.[C-]#[N+]C(C#N)=C1c2ccccc2C2(c3ccccc31)c1ccccc1N(c1ccccc1)c1ccccc12.[C-]#[N+]c1ccc2c(c1)C1(c3cc(C#N)ccc3-2)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc21.c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1
InChIInChI=1S/C57H35N7.C55H40N4.C35H21N3.C32H21NO/c1-2-16-36(17-3-1)55-58-56(63-51-28-14-8-22-43(51)45-34-37(30-32-53(45)63)61-47-24-10-4-18-39(47)40-19-5-11-25-48(40)61)60-57(59-55)64-52-29-15-9-23-44(52)46-35-38(31-33-54(46)64)62-49-26-12-6-20-41(49)42-21-7-13-27-50(42)62;1-35-6-16-41(17-7-35)58(42-18-8-36(2)9-19-42)45-24-28-49-50-29-25-46(59(43-20-10-37(3)11-21-43)44-22-12-38(4)13-23-44)33-54(50)55(53(49)32-45)51-30-39(34-56)14-26-47(51)48-27-15-40(57-5)31-52(48)55;1-37-31(23-36)34-25-15-5-7-17-27(25)35(28-18-8-6-16-26(28)34)29-19-9-11-21-32(29)38(24-13-3-2-4-14-24)33-22-12-10-20-30(33)35;34-31-23-14-4-6-16-25(23)32(26-17-7-5-15-24(26)31)27-18-8-10-20-29(27)33(22-12-2-1-3-13-22)30-21-11-9-19-28(30)32/h1-35H;6-33H,1-4H3;2-22H;1-21H
InChIKeyFHGCOLKMEKHSBF-UHFFFAOYSA-N
XLogP44.32
TPSA144.72 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002494.01
LogP ≤ 544.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one with MolForge

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Related Compounds

3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;4-phenyl-2-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;10-phenylspiro[acridine-9,10'-anthracene]-9'-one
CID 157484559
4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile;7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile
CID 159767214
2-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]-7'-isocyano-10-phenylspiro[acridine-9,9'-fluorene]-2'-carbonitrile
CID 140827092
3-[9-[4-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 123258860
7'-isocyano-10-(3-pyrido[4,3-b]indol-5-ylphenyl)spiro[acridine-9,9'-fluorene]-2'-carbonitrile
CID 140761302
4-[(9,9-diphenylfluoren-2-yl)-[6-(N-(9,9-diphenylfluoren-2-yl)-4-isocyanoanilino)-9-phenylcarbazol-3-yl]amino]benzonitrile
CID 123836837
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
CID 66804868
10-[3-(3,6-diisocyanocarbazol-9-yl)phenyl]-9,9-dimethylacridine;10-[3-(3-isocyanocarbazol-9-yl)phenyl]-9,9-dimethylacridine;10-[4-(3-isocyanocarbazol-9-yl)-1,3,5-triazin-2-yl]-9,9-dimethylacridine;2'-isocyano-10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)-2-pyridinyl]spiro[acridine-9,9'-fluorene];7'-isocyano-10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-2'-carbonitrile;10-[3-(8-isocyanopyrido[4,3-b]indol-5-yl)phenyl]-9,9-dimethylacridine
CID 159842247
5-[3-(N-(4-cyanophenyl)anilino)-6-(N-(4-isocyanophenyl)anilino)carbazol-9-yl]-2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 140779396
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 162500621
1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750848
10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 118231877

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one?
The IUPAC name of 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one (CID 158031632) is 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one.
What is the SMILES notation for 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one?
The canonical SMILES for 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one is O=C1c2ccccc2C2(c3ccccc31)c1ccccc1N(c1ccccc1)c1ccccc12.[C-]#[N+]C(C#N)=C1c2ccccc2C2(c3ccccc31)c1ccccc1N(c1ccccc1)c1ccccc12.[C-]#[N+]c1ccc2c(c1)C1(c3cc(C#N)ccc3-2)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc21.c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one?
The InChIKey is FHGCOLKMEKHSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N7.C55H40N4.C35H21N3.C32H21NO/c1-2-16-36(17-3-1)55-58-56(63-51-28-14-8-22-43(51)45-34-37(30-32-53(45)63)61-47-24-10-4-18-39(47)40-19-5-11-25-48(40)61)60-57(59-55)64-52-29-15-9-23-44(52)46-35-38(31-33-54(46)64)62-49-26-12-6-20-41(49)42-21-7-13-27-50(42)62;1-35-6-16-41(17-7-35)58(42-18-8-36(2)9-19-42)45-24-28-49-50-29-25-46(59(43-20-10-37(3)11-21-43)44-22-12-38(4)13-23-44)33-54(50)55(53(49)32-45)51-30-39(34-56)14-26-47(51)48-27-15-40(57-5)31-52(48)55;1-37-31(23-36)34-25-15-5-7-17-27(25)35(28-18-8-6-16-26(28)34)29-19-9-11-21-32(29)38(24-13-3-2-4-14-24)33-22-12-10-20-30(33)35;34-31-23-14-4-6-16-25(23)32(26-17-7-5-15-24(26)31)27-18-8-10-20-29(27)33(22-12-2-1-3-13-22)30-21-11-9-19-28(30)32/h1-35H;6-33H,1-4H3;2-22H;1-21H.
What are the key properties of 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one?
3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one has a molecular weight of 2494.01 g/mol, XLogP of 44.32, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;7-isocyano-2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-carbonitrile;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one is sourced from PubChem (CID 158031632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).