N'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide

C38H29N5 — CID 90076048

IUPACN'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide
SMILESN/C(=N\NCc1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1)c1ccccc1
InChIInChI=1S/C38H29N5/c39-38(27-13-3-1-4-14-27)41-40-25-26-12-11-17-29(22-26)43-35-21-10-8-19-31(35)33-23-32-30-18-7-9-20-34(30)42(36(32)24-37(33)43)28-15-5-2-6-16-28/h1-24,40H,25H2,(H2,39,41)
InChIKeyUZGHDSRASOKLCA-UHFFFAOYSA-N
MW555.69 g/mol
LogP8.29
Rot. Bonds6

About N'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide

N'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide (PubChem CID 90076048) has the molecular formula C38H29N5 and a molecular weight of 555.69 g/mol. Its IUPAC name is N'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide
PubChem CID90076048
Molecular FormulaC38H29N5
Molecular Weight555.69 g/mol
Exact Mass555.24
IUPAC NameN'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide
SMILESN/C(=N\NCc1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1)c1ccccc1
InChIInChI=1S/C38H29N5/c39-38(27-13-3-1-4-14-27)41-40-25-26-12-11-17-29(22-26)43-35-21-10-8-19-31(35)33-23-32-30-18-7-9-20-34(30)42(36(32)24-37(33)43)28-15-5-2-6-16-28/h1-24,40H,25H2,(H2,39,41)
InChIKeyUZGHDSRASOKLCA-UHFFFAOYSA-N
XLogP8.29
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.69
LogP ≤ 58.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
3-phenyl-9-[3-[[[(E)-2-phenylprop-1-enyl]amino]methyl]phenyl]carbazol-2-amine
CID 118674993
5,11-bis(3-ethylphenyl)indolo[3,2-b]carbazole
CID 130417419
2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134194417
7-phenyl-5-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-b]carbazole
CID 134168539
3-[2-amino-3-(N-benzylanilino)-1-phenylpyrrolo[2,3-b]carbazol-9-yl]benzenecarboximidamide
CID 144646003
16-(3-carbazol-9-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 155465799
5-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole;7-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]indolo[2,3-b]carbazole
CID 158411261
5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 126580236
5-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014900
12-phenyl-16-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 147944550
5-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 162362546

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide?
The IUPAC name of N'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide (CID 90076048) is N'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide.
What is the SMILES notation for N'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide?
The canonical SMILES for N'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide is N/C(=N\NCc1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1)c1ccccc1.
What is the InChIKey of N'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide?
The InChIKey is UZGHDSRASOKLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N5/c39-38(27-13-3-1-4-14-27)41-40-25-26-12-11-17-29(22-26)43-35-21-10-8-19-31(35)33-23-32-30-18-7-9-20-34(30)42(36(32)24-37(33)43)28-15-5-2-6-16-28/h1-24,40H,25H2,(H2,39,41).
What are the key properties of N'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide?
N'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide has a molecular weight of 555.69 g/mol, XLogP of 8.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]methylamino]benzenecarboximidamide is sourced from PubChem (CID 90076048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).