3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline

C26H19N3 — CID 90062777

IUPAC3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline
SMILESNc1cccc(-n2c3ccccc3c3cc4c(ccn4-c4ccccc4)cc32)c1
InChIInChI=1S/C26H19N3/c27-19-7-6-10-21(16-19)29-24-12-5-4-11-22(24)23-17-25-18(15-26(23)29)13-14-28(25)20-8-2-1-3-9-20/h1-17H,27H2
InChIKeyVDGXIJFBEPAAGC-UHFFFAOYSA-N
MW373.46 g/mol
LogP6.31
Rot. Bonds2

About 3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline

3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline (PubChem CID 90062777) has the molecular formula C26H19N3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline.

Molecular Properties

Compound Name3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline
PubChem CID90062777
Molecular FormulaC26H19N3
Molecular Weight373.46 g/mol
Exact Mass373.16
IUPAC Name3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline
SMILESNc1cccc(-n2c3ccccc3c3cc4c(ccn4-c4ccccc4)cc32)c1
InChIInChI=1S/C26H19N3/c27-19-7-6-10-21(16-19)29-24-12-5-4-11-22(24)23-17-25-18(15-26(23)29)13-14-28(25)20-8-2-1-3-9-20/h1-17H,27H2
InChIKeyVDGXIJFBEPAAGC-UHFFFAOYSA-N
XLogP6.31
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone
CID 118315223
10-(4-carbazol-9-ylphenyl)-18-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222800
3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
3-phenyl-9-[6-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)pyrimidin-4-yl]pyrrolo[3,2-b]carbazole
CID 90091160
3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole
CID 118316120
9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole
CID 118315026
3-phenyl-9-(10-phenylanthracen-9-yl)pyrrolo[3,2-b]carbazole
CID 118315191
N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267289
16-phenyl-10-(3-pyridin-4-ylphenyl)-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223553
18-phenyl-10-(3-pyridin-4-ylphenyl)-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222805
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223606

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline?
The IUPAC name of 3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline (CID 90062777) is 3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline.
What is the SMILES notation for 3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline?
The canonical SMILES for 3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline is Nc1cccc(-n2c3ccccc3c3cc4c(ccn4-c4ccccc4)cc32)c1.
What is the InChIKey of 3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline?
The InChIKey is VDGXIJFBEPAAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3/c27-19-7-6-10-21(16-19)29-24-12-5-4-11-22(24)23-17-25-18(15-26(23)29)13-14-28(25)20-8-2-1-3-9-20/h1-17H,27H2.
What are the key properties of 3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline?
3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline has a molecular weight of 373.46 g/mol, XLogP of 6.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline is sourced from PubChem (CID 90062777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).