N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone

C130H98N8O — CID 160567331

IUPACN,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone
SMILESCC(C)(C)c1ccc(N(c2cccc(-n3ccc4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)c2ccc3c(c2)c2ccccc2n3-c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(C(=O)n2ccc3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1.c1ccc(-n2ccc3c2ccc2c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C58H50N4.C44H28N2.C28H20N2O/c1-57(2,3)40-24-28-43(29-25-40)60(47-32-34-54-51(38-47)49-20-11-12-21-52(49)61(54)44-30-26-41(27-31-44)58(4,5)6)46-18-14-17-45(37-46)59-36-35-39-23-33-50-48-19-10-13-22-53(48)62(56(50)55(39)59)42-15-8-7-9-16-42;1-3-11-31(12-4-1)45-26-25-39-42(45)24-22-38-41-28-30(20-23-43(41)46(44(38)39)32-13-5-2-6-14-32)29-19-21-37-35-17-8-7-15-33(35)34-16-9-10-18-36(34)40(37)27-29;1-19-11-13-21(14-12-19)28(31)29-18-17-20-15-16-24-23-9-5-6-10-25(23)30(27(24)26(20)29)22-7-3-2-4-8-22/h7-38H,1-6H3;1-28H;2-18H,1H3
InChIKeyRACBXFNETLAODO-UHFFFAOYSA-N
MW1788.27 g/mol
LogP34.48
Rot. Bonds11

About N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone

N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone (PubChem CID 160567331) has the molecular formula C130H98N8O and a molecular weight of 1788.27 g/mol. Its IUPAC name is N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone.

Molecular Properties

Compound NameN,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone
PubChem CID160567331
Molecular FormulaC130H98N8O
Molecular Weight1788.27 g/mol
Exact Mass1786.79
IUPAC NameN,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone
SMILESCC(C)(C)c1ccc(N(c2cccc(-n3ccc4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)c2ccc3c(c2)c2ccccc2n3-c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(C(=O)n2ccc3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1.c1ccc(-n2ccc3c2ccc2c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C58H50N4.C44H28N2.C28H20N2O/c1-57(2,3)40-24-28-43(29-25-40)60(47-32-34-54-51(38-47)49-20-11-12-21-52(49)61(54)44-30-26-41(27-31-44)58(4,5)6)46-18-14-17-45(37-46)59-36-35-39-23-33-50-48-19-10-13-22-53(48)62(56(50)55(39)59)42-15-8-7-9-16-42;1-3-11-31(12-4-1)45-26-25-39-42(45)24-22-38-41-28-30(20-23-43(41)46(44(38)39)32-13-5-2-6-14-32)29-19-21-37-35-17-8-7-15-33(35)34-16-9-10-18-36(34)40(37)27-29;1-19-11-13-21(14-12-19)28(31)29-18-17-20-15-16-24-23-9-5-6-10-25(23)30(27(24)26(20)29)22-7-3-2-4-8-22/h7-38H,1-6H3;1-28H;2-18H,1H3
InChIKeyRACBXFNETLAODO-UHFFFAOYSA-N
XLogP34.48
TPSA54.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001788.27
LogP ≤ 534.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone with MolForge

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Related Compounds

N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315166
N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine
CID 118316091
9-(4-methylphenyl)-N-phenyl-N-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine
CID 118316037
9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315164
N,N-diphenyl-3-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)aniline;N,N-diphenyl-4-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(10-phenylpyrrolo[3,2-a]carbazol-3-yl)phenyl]aniline
CID 160601602
N,9-diphenyl-N-[3-[3-(4-phenylphenyl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]carbazol-3-amine
CID 118315481
N,1,10-triphenyl-N-(9-phenylcarbazol-3-yl)pyrrolo[2,3-a]carbazol-7-amine
CID 118316092
(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone
CID 118316044
N,9-bis(4-tert-butylphenyl)-N-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]carbazol-3-amine
CID 118315251
N,9-bis(4-tert-butylphenyl)-N-[3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315727
(4-methylphenyl)-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)methanone;3-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-triphenylen-2-ylpyrrolo[3,2-b]carbazole
CID 160810500
9-(4-tert-butylphenyl)-N-[4-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N-(4-propan-2-ylphenyl)carbazol-3-amine;N-[3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine;N-[4-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine
CID 160823280

Frequently Asked Questions

What is the IUPAC name of N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone?
The IUPAC name of N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone (CID 160567331) is N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone.
What is the SMILES notation for N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone?
The canonical SMILES for N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone is CC(C)(C)c1ccc(N(c2cccc(-n3ccc4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)c2ccc3c(c2)c2ccccc2n3-c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(C(=O)n2ccc3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1.c1ccc(-n2ccc3c2ccc2c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone?
The InChIKey is RACBXFNETLAODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H50N4.C44H28N2.C28H20N2O/c1-57(2,3)40-24-28-43(29-25-40)60(47-32-34-54-51(38-47)49-20-11-12-21-52(49)61(54)44-30-26-41(27-31-44)58(4,5)6)46-18-14-17-45(37-46)59-36-35-39-23-33-50-48-19-10-13-22-53(48)62(56(50)55(39)59)42-15-8-7-9-16-42;1-3-11-31(12-4-1)45-26-25-39-42(45)24-22-38-41-28-30(20-23-43(41)46(44(38)39)32-13-5-2-6-14-32)29-19-21-37-35-17-8-7-15-33(35)34-16-9-10-18-36(34)40(37)27-29;1-19-11-13-21(14-12-19)28(31)29-18-17-20-15-16-24-23-9-5-6-10-25(23)30(27(24)26(20)29)22-7-3-2-4-8-22/h7-38H,1-6H3;1-28H;2-18H,1H3.
What are the key properties of N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone?
N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone has a molecular weight of 1788.27 g/mol, XLogP of 34.48, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-bis(4-tert-butylphenyl)-N-[3-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine;3,10-diphenyl-7-triphenylen-2-ylpyrrolo[3,2-a]carbazole;(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone is sourced from PubChem (CID 160567331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).