2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine

C19H18BrN5 — CID 135847963

IUPAC2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine
SMILESNC(N)=N/N=C1\CC(c2ccccc2)Cc2[nH]c3ccc(Br)cc3c21
InChIInChI=1S/C19H18BrN5/c20-13-6-7-15-14(10-13)18-16(23-15)8-12(11-4-2-1-3-5-11)9-17(18)24-25-19(21)22/h1-7,10,12,23H,8-9H2,(H4,21,22,25)/b24-17+
InChIKeyNCSSFMOFLABCHX-JJIBRWJFSA-N
MW396.29 g/mol
LogP3.64
Rot. Bonds2

About 2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine

2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine (PubChem CID 135847963) has the molecular formula C19H18BrN5 and a molecular weight of 396.29 g/mol. Its IUPAC name is 2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine
PubChem CID135847963
Molecular FormulaC19H18BrN5
Molecular Weight396.29 g/mol
Exact Mass395.07
IUPAC Name2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine
SMILESNC(N)=N/N=C1\CC(c2ccccc2)Cc2[nH]c3ccc(Br)cc3c21
InChIInChI=1S/C19H18BrN5/c20-13-6-7-15-14(10-13)18-16(23-15)8-12(11-4-2-1-3-5-11)9-17(18)24-25-19(21)22/h1-7,10,12,23H,8-9H2,(H4,21,22,25)/b24-17+
InChIKeyNCSSFMOFLABCHX-JJIBRWJFSA-N
XLogP3.64
TPSA92.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

CID 77020
CID 77020
CID 14680201
CID 14680201
CID 274874
CID 274874
CID 11151503
CID 11151503
CID 700805
CID 700805
CID 268877
CID 268877
CID 252446
CID 252446
CID 5331114
CID 5331114
CID 42281505
CID 42281505
CID 46830238
CID 46830238
CID 2763724
CID 2763724
CID 2840380
CID 2840380

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine?
The IUPAC name of 2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine (CID 135847963) is 2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine.
What is the SMILES notation for 2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine?
The canonical SMILES for 2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine is NC(N)=N/N=C1\CC(c2ccccc2)Cc2[nH]c3ccc(Br)cc3c21.
What is the InChIKey of 2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine?
The InChIKey is NCSSFMOFLABCHX-JJIBRWJFSA-N. The full InChI is InChI=1S/C19H18BrN5/c20-13-6-7-15-14(10-13)18-16(23-15)8-12(11-4-2-1-3-5-11)9-17(18)24-25-19(21)22/h1-7,10,12,23H,8-9H2,(H4,21,22,25)/b24-17+.
What are the key properties of 2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine?
2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine has a molecular weight of 396.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine is sourced from PubChem (CID 135847963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).