3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]

C194H124N22O2 — CID 157089311

IUPAC3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]
SMILES[C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)n1.[C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3ccccc32)n1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3N3c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C46H30N4O.C45H29N5.C41H25N5.C33H22N4O.C29H18N4/c1-2-16-31(17-3-1)38-30-39(37-23-14-15-29-47-37)49-45(48-38)32-18-4-9-24-40(32)50-41-25-10-5-19-33(41)46(34-20-6-11-26-42(34)50)35-21-7-12-27-43(35)51-44-28-13-8-22-36(44)46;1-3-15-30(16-4-1)38-29-39(37-22-13-14-26-46-37)48-45(47-38)34-21-9-12-25-42(34)50-41-24-11-8-20-33(41)36-27-43-35(28-44(36)50)32-19-7-10-23-40(32)49(43)31-17-5-2-6-18-31;1-42-40-26-34(27-13-3-2-4-14-27)43-41(44-40)32-18-8-12-22-38(32)46-37-21-11-7-17-31(37)33-25-28(23-24-39(33)46)45-35-19-9-5-15-29(35)30-16-6-10-20-36(30)45;1-2-12-23(13-3-1)26-22-27(25-15-10-11-21-34-25)36-33(35-26)24-14-4-5-16-28(24)37-29-17-6-8-19-31(29)38-32-20-9-7-18-30(32)37;1-30-28-19-24(20-11-3-2-4-12-20)31-29(32-28)23-15-7-10-18-27(23)33-25-16-8-5-13-21(25)22-14-6-9-17-26(22)33/h1-30H;1-29H;2-26H;1-22H;2-19H
InChIKeyAELYTCSCKPLEEA-UHFFFAOYSA-N
MW2795.28 g/mol
LogP48.67
Rot. Bonds20

About 3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]

3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene] (PubChem CID 157089311) has the molecular formula C194H124N22O2 and a molecular weight of 2795.28 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene].

Molecular Properties

Compound Name3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]
PubChem CID157089311
Molecular FormulaC194H124N22O2
Molecular Weight2795.28 g/mol
Exact Mass2793.03
IUPAC Name3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]
SMILES[C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)n1.[C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3ccccc32)n1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3N3c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C46H30N4O.C45H29N5.C41H25N5.C33H22N4O.C29H18N4/c1-2-16-31(17-3-1)38-30-39(37-23-14-15-29-47-37)49-45(48-38)32-18-4-9-24-40(32)50-41-25-10-5-19-33(41)46(34-20-6-11-26-42(34)50)35-21-7-12-27-43(35)51-44-28-13-8-22-36(44)46;1-3-15-30(16-4-1)38-29-39(37-22-13-14-26-46-37)48-45(47-38)34-21-9-12-25-42(34)50-41-24-11-8-20-33(41)36-27-43-35(28-44(36)50)32-19-7-10-23-40(32)49(43)31-17-5-2-6-18-31;1-42-40-26-34(27-13-3-2-4-14-27)43-41(44-40)32-18-8-12-22-38(32)46-37-21-11-7-17-31(37)33-25-28(23-24-39(33)46)45-35-19-9-5-15-29(35)30-16-6-10-20-36(30)45;1-2-12-23(13-3-1)26-22-27(25-15-10-11-21-34-25)36-33(35-26)24-14-4-5-16-28(24)37-29-17-6-8-19-31(29)38-32-20-9-7-18-30(32)37;1-30-28-19-24(20-11-3-2-4-12-20)31-29(32-28)23-15-7-10-18-27(23)33-25-16-8-5-13-21(25)22-14-6-9-17-26(22)33/h1-30H;1-29H;2-26H;1-22H;2-19H
InChIKeyAELYTCSCKPLEEA-UHFFFAOYSA-N
XLogP48.67
TPSA225.88 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms218
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002795.28
LogP ≤ 548.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]?
The IUPAC name of 3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene] (CID 157089311) is 3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene].
What is the SMILES notation for 3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]?
The canonical SMILES for 3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene] is [C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)n1.[C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3ccccc32)n1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3N3c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]?
The InChIKey is AELYTCSCKPLEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4O.C45H29N5.C41H25N5.C33H22N4O.C29H18N4/c1-2-16-31(17-3-1)38-30-39(37-23-14-15-29-47-37)49-45(48-38)32-18-4-9-24-40(32)50-41-25-10-5-19-33(41)46(34-20-6-11-26-42(34)50)35-21-7-12-27-43(35)51-44-28-13-8-22-36(44)46;1-3-15-30(16-4-1)38-29-39(37-22-13-14-26-46-37)48-45(47-38)34-21-9-12-25-42(34)50-41-24-11-8-20-33(41)36-27-43-35(28-44(36)50)32-19-7-10-23-40(32)49(43)31-17-5-2-6-18-31;1-42-40-26-34(27-13-3-2-4-14-27)43-41(44-40)32-18-8-12-22-38(32)46-37-21-11-7-17-31(37)33-25-28(23-24-39(33)46)45-35-19-9-5-15-29(35)30-16-6-10-20-36(30)45;1-2-12-23(13-3-1)26-22-27(25-15-10-11-21-34-25)36-33(35-26)24-14-4-5-16-28(24)37-29-17-6-8-19-31(29)38-32-20-9-7-18-30(32)37;1-30-28-19-24(20-11-3-2-4-12-20)31-29(32-28)23-15-7-10-18-27(23)33-25-16-8-5-13-21(25)22-14-6-9-17-26(22)33/h1-30H;1-29H;2-26H;1-22H;2-19H.
What are the key properties of 3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene]?
3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene] has a molecular weight of 2795.28 g/mol, XLogP of 48.67, 20 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]carbazole;5-phenyl-11-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]indolo[3,2-b]carbazole;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]phenoxazine;10-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene] is sourced from PubChem (CID 157089311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).