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

C190H124N16OS — CID 157484559

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;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
SMILESO=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(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1
InChIInChI=1S/C57H35N7.C55H40N4.C46H28N4S.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;1-3-13-29(14-4-1)42-45-43(36-19-9-12-22-40(36)51-45)48-46(47-42)30-23-25-32(26-24-30)50-37-20-10-7-17-33(37)34-27-28-39-41(44(34)50)35-18-8-11-21-38(35)49(39)31-15-5-2-6-16-31;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;1-28H;1-21H
InChIKeyBWOADJAGAUYUHX-UHFFFAOYSA-N
MW2679.26 g/mol
LogP48.32
Rot. Bonds16

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;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

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 (PubChem CID 157484559) has the molecular formula C190H124N16OS and a molecular weight of 2679.26 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;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.

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;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
PubChem CID157484559
Molecular FormulaC190H124N16OS
Molecular Weight2679.26 g/mol
Exact Mass2676.99
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;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
SMILESO=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(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1
InChIInChI=1S/C57H35N7.C55H40N4.C46H28N4S.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;1-3-13-29(14-4-1)42-45-43(36-19-9-12-22-40(36)51-45)48-46(47-42)30-23-25-32(26-24-30)50-37-20-10-7-17-33(37)34-27-28-39-41(44(34)50)35-18-8-11-21-38(35)49(39)31-15-5-2-6-16-31;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;1-28H;1-21H
InChIKeyBWOADJAGAUYUHX-UHFFFAOYSA-N
XLogP48.32
TPSA148.97 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002679.26
LogP ≤ 548.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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;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 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;2-isocyano-2-(10-phenylspiro[acridine-9,10'-anthracene]-9'-ylidene)acetonitrile;10-phenylspiro[acridine-9,10'-anthracene]-9'-one
CID 158031632
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-diphenyl-7-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 164730465
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-isocyano-5-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole-2-carbonitrile;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole-10-carbonitrile;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[2,3-g]carbazole-3-carbonitrile
CID 158229297
2,4-diphenyl-7-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-7-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 165085004
12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 88887018
2-(9-phenylcarbazol-3-yl)-4-spiro[fluorene-9,9'-xanthene]-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 170928875
6'-[4-(2,3-diphenylquinoxalin-6-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];6'-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine];9-[4-(4-spiro[fluorene-9,9'-thiochromeno[3,2-k]phenanthridine]-6'-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 163478526
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
2-(9-phenylcarbazol-3-yl)-4-[4-[3-[9-[4-[4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 138493475
2-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130333806
4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 155656730

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;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?
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;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) 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;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.
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;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?
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;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 is O=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(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)nc3c2sc2ccccc23)cc1.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;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?
The InChIKey is BWOADJAGAUYUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N7.C55H40N4.C46H28N4S.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;1-3-13-29(14-4-1)42-45-43(36-19-9-12-22-40(36)51-45)48-46(47-42)30-23-25-32(26-24-30)50-37-20-10-7-17-33(37)34-27-28-39-41(44(34)50)35-18-8-11-21-38(35)49(39)31-15-5-2-6-16-31;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;1-28H;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;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?
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 has a molecular weight of 2679.26 g/mol, XLogP of 48.32, 16 rotatable bonds, 0 hydrogen bond donors, and 17 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;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 is sourced from PubChem (CID 157484559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).